| SpectraBase Compound ID | Frjj8313UBA |
|---|---|
| InChI | InChI=1S/C8H9NOS/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H2,9,11) |
| InChIKey | NFLXIVAHDYFBLP-UHFFFAOYSA-N |
| Mol Weight | 167.23 g/mol |
| Molecular Formula | C8H9NOS |
| Exact Mass | 167.040485 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2tkrCMphqoC |
|---|---|
| Name | Thiocarbamic acid, o-p-tolyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.040485087 u |
| Formula | C8H9NOS |
| InChI | InChI=1S/C8H9NOS/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H2,9,11) |
| InChIKey | NFLXIVAHDYFBLP-UHFFFAOYSA-N |
| Molecular Weight | 167.226 g/mol |
| SMILES | C=1C=C(C)C=CC1OC(N)=S |
| Spectrum/Structure Validation Score (Raman) | 0.955248 |