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(Phenylthio)acetic acid, nonyl ester

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

(Phenylthio)acetic acid, nonyl ester
SpectraBase Compound ID IL0d6FJOX0I
InChI InChI=1S/C17H26O2S/c1-2-3-4-5-6-7-11-14-19-17(18)15-20-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3
InChIKey UVWUXWMBLPVCSX-UHFFFAOYSA-N
Mol Weight 294.45 g/mol
Molecular Formula C17H26O2S
Exact Mass 294.165351 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5O1FBCP0fHM
Name (Phenylthio)acetic acid, nonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.165351249 u
Formula C17H26O2S
InChI InChI=1S/C17H26O2S/c1-2-3-4-5-6-7-11-14-19-17(18)15-20-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3
InChIKey UVWUXWMBLPVCSX-UHFFFAOYSA-N
Molecular Weight 294.453 g/mol
SMILES C1=CC=C(C=C1)SCC(OCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882834