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carbanilic acid, heptyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

carbanilic acid, heptyl ester
SpectraBase Compound ID KfLcRy5Gn21
InChI InChI=1S/C14H21NO2/c1-2-3-4-5-9-12-17-14(16)15-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,15,16)
InChIKey OJXUXLGVKNOXFM-UHFFFAOYSA-N
Mol Weight 235.33 g/mol
Molecular Formula C14H21NO2
Exact Mass 235.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETEs5muUEXb
Name Heptyl phenylcarbamate
CAS Registry Number 109562-39-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO2
InChI InChI=1S/C14H21NO2/c1-2-3-4-5-9-12-17-14(16)15-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,15,16)
InChIKey OJXUXLGVKNOXFM-UHFFFAOYSA-N
Molecular Weight 235.327 g/mol
SMILES N(C(=O)OCCCCCCC)c1ccccc1
SPLASH splash10-0006-9100000000-114fcb1bbd498647a317
Source of Spectrum AD-0-2532-0
Synonyms Carbamic acid, N-phenyl-, heptyl ester Carbanilic acid, n-heptyl ester Heptyl N-phenylcarbamate N-phenylcarbamic acid heptyl ester
Wiley ID 1419692