| SpectraBase Compound ID | AbdctI1FsAs |
|---|---|
| InChI | InChI=1S/C10H12O2S/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3 |
| InChIKey | MRSZZJSICSXHRC-UHFFFAOYSA-N |
| Mol Weight | 196.26 g/mol |
| Molecular Formula | C10H12O2S |
| Exact Mass | 196.055801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8NUqdjk8oG3 |
|---|---|
| Name | 4-Methoxybenzyl mercaptan, S-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.055800798 u |
| Formula | C10H12O2S |
| InChI | InChI=1S/C10H12O2S/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3 |
| InChIKey | MRSZZJSICSXHRC-UHFFFAOYSA-N |
| Molecular Weight | 196.264 g/mol |
| SMILES | C(SC(C)=O)C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845439 |