| SpectraBase Compound ID | dChNYjGDJR |
|---|---|
| InChI | InChI=1S/C10H7NOS/c11-8-13-7-6-10(12)9-4-2-1-3-5-9/h1-7H/b7-6- |
| InChIKey | JOWGYKSVRDSZSJ-SREVYHEPSA-N |
| Mol Weight | 189.23 g/mol |
| Molecular Formula | C10H7NOS |
| Exact Mass | 189.024835 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LxND2S2qeNO |
|---|---|
| Name | Thiocyanic acid, cis-2-benzoylvinyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.024835022 u |
| Formula | C10H7NOS |
| InChI | InChI=1S/C10H7NOS/c11-8-13-7-6-10(12)9-4-2-1-3-5-9/h1-7H/b7-6- |
| InChIKey | JOWGYKSVRDSZSJ-SREVYHEPSA-N |
| Molecular Weight | 189.232 g/mol |
| SMILES | C=1C(=CC=CC1)C(=O)\C=C/SC#N |