Cyclotetradecanecarboxylic acid, 5-nitro-2-[(phenylmethyl)amino]-, methyl ester

SpectraBase Compound ID	JUKOPAIYFuS
InChI	InChI=1S/C23H36N2O4/c1-29-23(26)21-15-11-6-4-2-3-5-10-14-20(25(27)28)16-17-22(21)24-18-19-12-8-7-9-13-19/h7-9,12-13,20-22,24H,2-6,10-11,14-18H2,1H3
InChIKey	MQLOUWXMVIWGJP-UHFFFAOYSA-N Google Search
Mol Weight	404.6 g/mol
Molecular Formula	C23H36N2O4
Exact Mass	404.267508 g/mol

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SpectraBase Spectrum ID	2PNjMvktV04
Name	Cyclotetradecanecarboxylic acid, 5-nitro-2-[(phenylmethyl)amino]-, methyl ester
Alternate Name(s)	2-(benzylamino)-5-nitrocyclotetradecan-1-carbonsaure-methylester Methyl 2-(benzylamino)-5-nitrocyclotetradecanecarboxylate
CAS Registry Number	104825-59-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H36N2O4
InChI	InChI=1S/C23H36N2O4/c1-29-23(26)21-15-11-6-4-2-3-5-10-14-20(25(27)28)16-17-22(21)24-18-19-12-8-7-9-13-19/h7-9,12-13,20-22,24H,2-6,10-11,14-18H2,1H3
InChIKey	MQLOUWXMVIWGJP-UHFFFAOYSA-N
Molecular Weight	404.551 g/mol
SMILES	N(C1C(C(=O)OC)CCCCCCCCCC(N(=O)=O)CC1)Cc1ccccc1
SPLASH	splash10-0006-9401000000-a0a08006a09451c7925f
Source of Spectrum	H-68-2180-11
Wiley ID	1371373