Benzoic acid, 3,4-bis[(hexylamino)carbonyl]-, methyl ester

SpectraBase Compound ID	7Z9XOLBXgIx
InChI	InChI=1S/C22H34N2O4/c1-4-6-8-10-14-23-20(25)18-13-12-17(22(27)28-3)16-19(18)21(26)24-15-11-9-7-5-2/h12-13,16H,4-11,14-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKey	CPMJFEBEODUVHG-UHFFFAOYSA-N Google Search
Mol Weight	390.5 g/mol
Molecular Formula	C22H34N2O4
Exact Mass	390.251858 g/mol

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SpectraBase Spectrum ID	FfQMQ5VnN2e
Name	Benzoic acid, 3,4-bis[(hexylamino)carbonyl]-, methyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H34N2O4
InChI	InChI=1S/C22H34N2O4/c1-4-6-8-10-14-23-20(25)18-13-12-17(22(27)28-3)16-19(18)21(26)24-15-11-9-7-5-2/h12-13,16H,4-11,14-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKey	CPMJFEBEODUVHG-UHFFFAOYSA-N
Molecular Weight	390.524 g/mol
SMILES	N(CCCCCC)C(c1c(C(=O)NCCCCCC)cc(cc1)C(=O)OC)=O
SPLASH	splash10-0006-9560000000-4552a3fe9ebb689c097c
Source of Spectrum	JX-2015-3-1860
Synonyms	Methyl 3,4-bis(hexylcarbamoyl)benzoate 3,4-Bis[(hexylamino)-oxomethyl]benzoic acid methyl ester
Wiley ID	1725326