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1,3-Benzenedicarboxylic acid, 2-amino-5-[(dicyclohexylamino)carbonyl]-
SpectraBase Compound ID DfnsLo0CSMf
InChI InChI=1S/C21H28N2O5/c22-18-16(20(25)26)11-13(12-17(18)21(27)28)19(24)23(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11-12,14-15H,1-10,22H2,(H,25,26)(H,27,28)
InChIKey DEOLDDJVHNYWIE-UHFFFAOYSA-N
Mol Weight 388.46 g/mol
Molecular Formula C21H28N2O5
Exact Mass 388.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6wbkwkKjAp
Name 1,3-Benzenedicarboxylic acid, 2-amino-5-[(dicyclohexylamino)carbonyl]-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O5
InChI InChI=1S/C21H28N2O5/c22-18-16(20(25)26)11-13(12-17(18)21(27)28)19(24)23(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11-12,14-15H,1-10,22H2,(H,25,26)(H,27,28)
InChIKey DEOLDDJVHNYWIE-UHFFFAOYSA-N
Molecular Weight 388.464 g/mol
SMILES Nc1c(C(O)=O)cc(cc1C(O)=O)C(=O)N(C1CCCCC1)C1CCCCC1
SPLASH splash10-0a4i-1397000000-6384e49a140230b6309c
Source of Spectrum JX-2015-3-1820
Synonyms 2-Amino-5-(dicyclohexylcarbamoyl)isophthalic acid 2-Amino-5-(dicyclohexylcarbamoyl)benzene-1,3-dicarboxylic acid 2-Amino-5-[(dicyclohexylamino)-oxomethyl]benzene-1,3-dicarboxylic acid 2-Azanyl-5-(dicyclohexylcarbamoyl)benzene-1,3-dicarboxylic acid
Wiley ID 1725288