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[1,1':4',1''-Terphenyl]-2',3'-dicarboxylic acid, 5'-amino-6'-(phenylmethyl)-, dimethyl ester
SpectraBase Compound ID JMb0ztie30R
InChI InChI=1S/C29H25NO4/c1-33-28(31)25-23(20-14-8-4-9-15-20)22(18-19-12-6-3-7-13-19)27(30)24(26(25)29(32)34-2)21-16-10-5-11-17-21/h3-17H,18,30H2,1-2H3
InChIKey HSFFYFCSJXRZIW-UHFFFAOYSA-N
Mol Weight 451.52 g/mol
Molecular Formula C29H25NO4
Exact Mass 451.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 212IcG58Xp1
Name [1,1':4',1''-Terphenyl]-2',3'-dicarboxylic acid, 5'-amino-6'-(phenylmethyl)-, dimethyl ester
Alternate Name(s) 1,2-Dimethyl 4-amino-5-benzyl-3,6-diphenylbenzene-1,2-dicarboxylate Dimethyl ester of 5'-amino-6'-benzyl-p-terphenyl-2'3'-dicarboxylic acid [1,1':4',1''-terphenyl]-2',3'-dicarboxylic acid, 5'-amino-6'-(phenylmethyl)-, dimethyl ester
CAS Registry Number 61165-00-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H25NO4
InChI InChI=1S/C29H25NO4/c1-33-28(31)25-23(20-14-8-4-9-15-20)22(18-19-12-6-3-7-13-19)27(30)24(26(25)29(32)34-2)21-16-10-5-11-17-21/h3-17H,18,30H2,1-2H3
InChIKey HSFFYFCSJXRZIW-UHFFFAOYSA-N
Molecular Weight 451.522 g/mol
SMILES Nc1c(c(c(c(c1-c1ccccc1)C(=O)OC)C(=O)OC)-c1ccccc1)Cc1ccccc1
SPLASH splash10-0uxr-0220900000-c6bc783f573e97c8e965
Source of Spectrum K-112-274-0
Wiley ID 1388025