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[1,1':4',1''-Terphenyl]-2'-carboxylic acid, 6'-amino-5'-(phenylmethyl)-, methyl ester
SpectraBase Compound ID 5grW5dDgMZ7
InChI InChI=1S/C27H23NO2/c1-30-27(29)24-18-22(20-13-7-3-8-14-20)23(17-19-11-5-2-6-12-19)26(28)25(24)21-15-9-4-10-16-21/h2-16,18H,17,28H2,1H3
InChIKey TWHBGCFITMFSAC-UHFFFAOYSA-N
Mol Weight 393.49 g/mol
Molecular Formula C27H23NO2
Exact Mass 393.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1bMNoOPkw
Name [1,1':4',1''-Terphenyl]-2'-carboxylic acid, 6'-amino-5'-(phenylmethyl)-, methyl ester
Alternate Name(s) Methyl 3-amino-4-benzyl-2,5-diphenylbenzoate Methyl ester of 6'-amino-5'-benzyl-p-terphenyl-2'-carboxylic acid [1,1':4',1''-terphenyl]-2'-carboxylic acid, 6'-amino-5'-(phenylmethyl)-, methyl ester
CAS Registry Number 69535-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23NO2
InChI InChI=1S/C27H23NO2/c1-30-27(29)24-18-22(20-13-7-3-8-14-20)23(17-19-11-5-2-6-12-19)26(28)25(24)21-15-9-4-10-16-21/h2-16,18H,17,28H2,1H3
InChIKey TWHBGCFITMFSAC-UHFFFAOYSA-N
Molecular Weight 393.486 g/mol
SMILES Nc1c(c(cc(C(=O)OC)c1-c1ccccc1)-c1ccccc1)Cc1ccccc1
SPLASH splash10-0006-0009000000-177944df60e0ade2824a
Source of Spectrum K-112-275-0
Wiley ID 1366366