| SpectraBase Compound ID | 6V0913hqr3K |
|---|---|
| InChI | InChI=1S/C10H12O2S/c1-12-7-8-13-10(11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | NEBGFCMSWBPAMR-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 | 3mNjHjo2NMo |
|---|---|
| Name | Benzoic,acid,thio-,S-(2-methoxy-ethyl)ester |
| 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/c1-12-7-8-13-10(11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | NEBGFCMSWBPAMR-UHFFFAOYSA-N |
| Molecular Weight | 196.264 g/mol |
| SMILES | C(SC(C1=CC=CC=C1)=O)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927299 |