| SpectraBase Compound ID | GyOc5FY7BOG |
|---|---|
| InChI | InChI=1S/C9H12O3S/c1-12-7-2-3-8(11)9(6-7)13-5-4-10/h2-3,6,10-11H,4-5H2,1H3 |
| InChIKey | JRLWAQYIKHEHPD-UHFFFAOYSA-N |
| Mol Weight | 200.25 g/mol |
| Molecular Formula | C9H12O3S |
| Exact Mass | 200.050715 g/mol |
| SpectraBase Spectrum ID | I04I52kYD77 |
|---|---|
| Name | 2-[(2'-Hydroxy-5'-methoxyphenyl)thio]-ethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.050715417 u |
| Formula | C9H12O3S |
| InChI | InChI=1S/C9H12O3S/c1-12-7-2-3-8(11)9(6-7)13-5-4-10/h2-3,6,10-11H,4-5H2,1H3 |
| InChIKey | JRLWAQYIKHEHPD-UHFFFAOYSA-N |
| Molecular Weight | 200.252 g/mol |
| SMILES | C1(=CC(OC)=CC=C1O)SCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961794 |