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2-Allyltetrahydrothiophene
SpectraBase Compound ID DfetUVnGsDt
InChI InChI=1S/C7H12S/c1-2-4-7-5-3-6-8-7/h2,7H,1,3-6H2
InChIKey ZDLYPGFOOCCUJK-UHFFFAOYSA-N
Mol Weight 128.23 g/mol
Molecular Formula C7H12S
Exact Mass 128.065972 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EueCxyGMrq6
Name 2-Allyltetrahydrothiophene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 128.065971560 u
Formula C7H12S
InChI InChI=1S/C7H12S/c1-2-4-7-5-3-6-8-7/h2,7H,1,3-6H2
InChIKey ZDLYPGFOOCCUJK-UHFFFAOYSA-N
Molecular Weight 128.233 g/mol
SMILES C1(SCCC1)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922384