SpectraBase Compound ID | 1PsZmVmJkHm |
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InChI | InChI=1S/C10H16S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,6,11H,5,7H2,1-3H3 |
InChIKey | OADGGKFSSJHADK-UHFFFAOYSA-N |
Mol Weight | 168.3 g/mol |
Molecular Formula | C10H16S |
Exact Mass | 168.097272 g/mol |
SpectraBase Spectrum ID | 2ZnINmwOO2f |
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Name | p-Menthadiene-1,3-thiol-8 |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 168.097271689 u |
Formula | C10H16S |
InChI | InChI=1S/C10H16S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,6,11H,5,7H2,1-3H3 |
InChIKey | OADGGKFSSJHADK-UHFFFAOYSA-N |
Molecular Weight | 168.298 g/mol |
SMILES | C1(=CC=C(CC1)C)C(S)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952239 |