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Anthranilic acid, octyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

Anthranilic acid, octyl ester
SpectraBase Compound ID Icu2GhVPRtD
InChI InChI=1S/C15H23NO2/c1-2-3-4-5-6-9-12-18-15(17)13-10-7-8-11-14(13)16/h7-8,10-11H,2-6,9,12,16H2,1H3
InChIKey FFZFHRYMHDWKAX-UHFFFAOYSA-N
Mol Weight 249.35 g/mol
Molecular Formula C15H23NO2
Exact Mass 249.172879 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8YQIa5F4H5P
Name Anthranilic acid, octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.172878983 u
Formula C15H23NO2
InChI InChI=1S/C15H23NO2/c1-2-3-4-5-6-9-12-18-15(17)13-10-7-8-11-14(13)16/h7-8,10-11H,2-6,9,12,16H2,1H3
InChIKey FFZFHRYMHDWKAX-UHFFFAOYSA-N
Molecular Weight 249.354 g/mol
SMILES NC=1C(=CC=CC1)C(OCCCCCCCC)=O
Spectrum/Structure Validation Score (Raman) 0.967309