| SpectraBase Compound ID | 9yxIHCtTvfO |
|---|---|
| InChI | InChI=1S/C10H18S/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3/t9-,10+ |
| InChIKey | NNHMUEBTWCOFED-AOOOYVTPSA-N |
| Mol Weight | 170.31 g/mol |
| Molecular Formula | C10H18S |
| Exact Mass | 170.112922 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7f4aOM3vby6 |
|---|---|
| Name | 1(S)-Mercapto-p-menth-8(S)-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.112921754 u |
| Formula | C10H18S |
| InChI | InChI=1S/C10H18S/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3/t9-,10+ |
| InChIKey | NNHMUEBTWCOFED-AOOOYVTPSA-N |
| Molecular Weight | 170.314 g/mol |
| SMILES | C1C[C@](C(C)=C)(CC[C@]1(C)S)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952884 |