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2-[(Dicyclohexylcarbamoyl)-methyl]-malonic acid, diethyl ester

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2-[(Dicyclohexylcarbamoyl)-methyl]-malonic acid, diethyl ester
SpectraBase Compound ID 7VF0ocHBZGE
InChI InChI=1S/C21H35NO5/c1-3-26-20(24)18(21(25)27-4-2)15-19(23)22(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h16-18H,3-15H2,1-2H3
InChIKey XLJRGIFVOHUMMF-UHFFFAOYSA-N
Mol Weight 381.5 g/mol
Molecular Formula C21H35NO5
Exact Mass 381.251523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdamojO7kUO
Name 2-[(DICYCLOHEXYLCARBAMOYL)METHYL]MALONIC ACID, DIETHYL ESTER
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H35NO5
InChI InChI=1S/C21H35NO5/c1-3-26-20(24)18(21(25)27-4-2)15-19(23)22(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h16-18H,3-15H2,1-2H3
InChIKey XLJRGIFVOHUMMF-UHFFFAOYSA-N
Molecular Weight 381.2506
SMILES C1(N(C(CC(C(OCC)=O)C(OCC)=O)=O)C2CCCCC2)CCCCC1
SPLASH splash10-0a6s-9511000000-8cefbdff36ca9ae588ce
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany