Benzeneacetic acid, 3-benzoyl-α-methyl-, compd. with 2-amino-2-(hydroxymethyl...
C16H14O3.C4H11NO3
156604-79-4 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  27 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 4.0012 7.0810 0.0 0
M  V30 2 O 4.0012 5.5410 0.0 0
M  V30 3 C 9.3360 7.0810 0.0 0 CFG=2
M  V30 4 C 10.6697 7.8511 0.0 0
M  V30 5 C 9.3360 5.5410 0.0 0
M  V30 6 O 10.6697 9.3911 0.0 0
M  V30 7 O 12.0033 7.0810 0.0 0
M  V30 8 C 5.3348 7.8511 0.0 0
M  V30 9 C 6.6685 7.0810 0.0 0
M  V30 10 C 5.3348 9.3911 0.0 0
M  V30 11 C 8.0022 7.8511 0.0 0
M  V30 12 C 6.6685 10.1611 0.0 0
M  V30 13 C 8.0022 9.3911 0.0 0
M  V30 14 C 2.6673 7.8511 0.0 0
M  V30 15 C 2.6673 9.3911 0.0 0
M  V30 16 C 1.3337 7.0810 0.0 0
M  V30 17 C 1.3337 10.1611 0.0 0
M  V30 18 C 0.0000 7.8511 0.0 0
M  V30 19 C 0.0000 9.3911 0.0 0
M  V30 20 C 5.8230 2.6673 0.0 0
M  V30 21 C 7.1567 3.4374 0.0 0
M  V30 22 C 5.0530 4.0010 0.0 0
M  V30 23 C 6.5930 1.3337 0.0 0
M  V30 24 N 4.4892 1.8973 0.0 0
M  V30 25 O 8.4904 2.6673 0.0 0
M  V30 26 O 3.5130 4.0010 0.0 0
M  V30 27 O 5.8230 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 8
M  V30 3 1 1 14
M  V30 4 1 3 4
M  V30 5 1 3 5 CFG=1
M  V30 6 1 3 11
M  V30 7 1 4 6
M  V30 8 2 4 7
M  V30 9 2 8 9
M  V30 10 1 8 10
M  V30 11 1 9 11
M  V30 12 2 10 12
M  V30 13 2 11 13
M  V30 14 1 12 13
M  V30 15 2 14 15
M  V30 16 1 14 16
M  V30 17 1 15 17
M  V30 18 2 16 18
M  V30 19 2 17 19
M  V30 20 1 18 19
M  V30 21 1 20 21
M  V30 22 1 20 22
M  V30 23 1 20 23
M  V30 24 1 20 24
M  V30 25 1 21 25
M  V30 26 1 22 26
M  V30 27 1 23 27
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 3)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
156604-79-4

> <cas.index.name>
Benzeneacetic acid, 3-benzoyl-α-methyl-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1), (αS)-

> <molecular.formula>
C16H14O3.C4H11NO3

> <molecular.weight>
375.42

$$$$
