| SpectraBase Compound ID | 1hqO44oJVmT |
|---|---|
| InChI | InChI=1S/C8H7NOS/c1-6-4-7(11-5-9)2-3-8(6)10/h2-4,10H,1H3 |
| InChIKey | WEAMLHXSIBDPGN-UHFFFAOYSA-N |
| Mol Weight | 165.21 g/mol |
| Molecular Formula | C8H7NOS |
| Exact Mass | 165.024835 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7I7Qb74xtqw |
|---|---|
| Name | Thiocyanic acid, 4-hydroxy-m-tolyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.024835022 u |
| Formula | C8H7NOS |
| InChI | InChI=1S/C8H7NOS/c1-6-4-7(11-5-9)2-3-8(6)10/h2-4,10H,1H3 |
| InChIKey | WEAMLHXSIBDPGN-UHFFFAOYSA-N |
| Molecular Weight | 165.210 g/mol |
| SMILES | OC1=C(C=C(C=C1)SC#N)C |
| Spectrum/Structure Validation Score (Raman) | 0.960188 |