| SpectraBase Compound ID | 8d1YKNAu44j |
|---|---|
| InChI | InChI=1S/C9H9NOS/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7H,6H2,1H3 |
| InChIKey | GDZVXLXQDMYZCI-UHFFFAOYSA-N |
| Mol Weight | 179.24 g/mol |
| Molecular Formula | C9H9NOS |
| Exact Mass | 179.040485 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2SdSoMD0coR |
|---|---|
| Name | (3-Methoxyphenylsulfanyl)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.040485087 u |
| Formula | C9H9NOS |
| InChI | InChI=1S/C9H9NOS/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7H,6H2,1H3 |
| InChIKey | GDZVXLXQDMYZCI-UHFFFAOYSA-N |
| Molecular Weight | 179.237 g/mol |
| SMILES | C(#N)CSC1=CC(OC)=CC=C1 |