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4-Methoxyphenylthio 4-methylpent-3-enoate

View entire compound with spectra: 1 FTIR

4-Methoxyphenylthio 4-methylpent-3-enoate
SpectraBase Compound ID D6KQNvJqlNR
InChI InChI=1S/C13H16O2S/c1-10(2)4-9-13(14)16-12-7-5-11(15-3)6-8-12/h4-8H,9H2,1-3H3
InChIKey GOGGPORXORALCC-UHFFFAOYSA-N
Mol Weight 236.33 g/mol
Molecular Formula C13H16O2S
Exact Mass 236.087101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CyDvReQIRht
Name 4-Methoxyphenylthio 4-methylpent-3-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.087100927 u
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-10(2)4-9-13(14)16-12-7-5-11(15-3)6-8-12/h4-8H,9H2,1-3H3
InChIKey GOGGPORXORALCC-UHFFFAOYSA-N
Molecular Weight 236.329 g/mol
SMILES C1=CC(SC(CC=C(C)C)=O)=CC=C1OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.825931