| SpectraBase Compound ID | GEho8o0YXMt |
|---|---|
| InChI | InChI=1S/C9H12OS/c1-3-11-9-7-5-4-6-8(9)10-2/h4-7H,3H2,1-2H3 |
| InChIKey | JKACBGBHMSTRGB-UHFFFAOYSA-N |
| Mol Weight | 168.25 g/mol |
| Molecular Formula | C9H12OS |
| Exact Mass | 168.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HbZMAJbJ9PP |
|---|---|
| Name | 1-Ethylthio-2-methoxy-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.060886179 u |
| Formula | C9H12OS |
| InChI | InChI=1S/C9H12OS/c1-3-11-9-7-5-4-6-8(9)10-2/h4-7H,3H2,1-2H3 |
| InChIKey | JKACBGBHMSTRGB-UHFFFAOYSA-N |
| Molecular Weight | 168.254 g/mol |
| SMILES | CCSC1=C(OC)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90478 |