| SpectraBase Compound ID | 1Kw1DjMuOb6 |
|---|---|
| InChI | InChI=1S/C10H11NS/c1-3-9-6-4-5-8(2)10(9)11-7-12/h4-6H,3H2,1-2H3 |
| InChIKey | IPCSOFYQRXYMDN-UHFFFAOYSA-N |
| Mol Weight | 177.26 g/mol |
| Molecular Formula | C10H11NS |
| Exact Mass | 177.061221 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 74MU9kDmTRB |
|---|---|
| Name | 2-Ethyl-6-methylphenyl isothiocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.061220532 u |
| Formula | C10H11NS |
| InChI | InChI=1S/C10H11NS/c1-3-9-6-4-5-8(2)10(9)11-7-12/h4-6H,3H2,1-2H3 |
| InChIKey | IPCSOFYQRXYMDN-UHFFFAOYSA-N |
| Molecular Weight | 177.265 g/mol |
| SMILES | C1(=C(C(=CC=C1)CC)N=C=S)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.837138 |