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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
Mol Weight 404.6 g/mol
Molecular Formula C23H36N2O4
Exact Mass 404.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PNjMvktV04
Name Cyclotetradecanecarboxylic acid, 5-nitro-2-[(phenylmethyl)amino]-, methyl ester
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
Synonyms 2-(benzylamino)-5-nitrocyclotetradecan-1-carbonsaure-methylester Methyl 2-(benzylamino)-5-nitrocyclotetradecanecarboxylate
Wiley ID 1371373