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(Phenylthio)acetic acid, undec-10-enyl ester

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(Phenylthio)acetic acid, undec-10-enyl ester
SpectraBase Compound ID BR8Z6U5i8Rd
InChI InChI=1S/C19H28O2S/c1-2-3-4-5-6-7-8-9-13-16-21-19(20)17-22-18-14-11-10-12-15-18/h2,10-12,14-15H,1,3-9,13,16-17H2
InChIKey HRLFUSLYOOAIFI-UHFFFAOYSA-N
Mol Weight 320.49 g/mol
Molecular Formula C19H28O2S
Exact Mass 320.181001 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4PVSLPGUPgh
Name (Phenylthio)acetic acid, undec-10-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.181001314 u
Formula C19H28O2S
InChI InChI=1S/C19H28O2S/c1-2-3-4-5-6-7-8-9-13-16-21-19(20)17-22-18-14-11-10-12-15-18/h2,10-12,14-15H,1,3-9,13,16-17H2
InChIKey HRLFUSLYOOAIFI-UHFFFAOYSA-N
Molecular Weight 320.491 g/mol
SMILES C1=CC(=CC=C1)SCC(OCCCCCCCCCC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892255