| SpectraBase Compound ID | LOnrHfv2U2Z |
|---|---|
| InChI | InChI=1S/C13H16S/c1-9(2)7-11-8-10-5-3-4-6-12(10)13(11)14/h3-7,11,13-14H,8H2,1-2H3 |
| InChIKey | HJMVXVHKLAMQNS-UHFFFAOYSA-N |
| Mol Weight | 204.33 g/mol |
| Molecular Formula | C13H16S |
| Exact Mass | 204.097272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CzCC7fwdXX0 |
|---|---|
| Name | 2-(2-Methyl-propenyl)-indan-1-thiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.097271689 u |
| Formula | C13H16S |
| InChI | InChI=1S/C13H16S/c1-9(2)7-11-8-10-5-3-4-6-12(10)13(11)14/h3-7,11,13-14H,8H2,1-2H3 |
| InChIKey | HJMVXVHKLAMQNS-UHFFFAOYSA-N |
| Molecular Weight | 204.331 g/mol |
| SMILES | C1(S)C(C=C(C)C)CC=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809272 |