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Carbanilic acid, decyl ester

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

Carbanilic acid, decyl ester
SpectraBase Compound ID GYhqsUvtVXN
InChI InChI=1S/C17H27NO2/c1-2-3-4-5-6-7-8-12-15-20-17(19)18-16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3,(H,18,19)
InChIKey GCAJWNIRJIYNAK-UHFFFAOYSA-N
Mol Weight 277.41 g/mol
Molecular Formula C17H27NO2
Exact Mass 277.204179 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Ga4McytLztl
Name Carbanilic acid, decyl ester
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 277.204179111 u
Formula C17H27NO2
InChI InChI=1S/C17H27NO2/c1-2-3-4-5-6-7-8-12-15-20-17(19)18-16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3,(H,18,19)
InChIKey GCAJWNIRJIYNAK-UHFFFAOYSA-N
Molecular Weight 277.408 g/mol
SMILES N(C1=CC=CC=C1)C(OCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Raman) 0.74296