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 |
SpectraBase Spectrum ID | EueCxyGMrq6 |
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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 |