| SpectraBase Compound ID | 8Zcmopjw0fS |
|---|---|
| InChI | InChI=1S/C9H9NOS/c1-12(11)7-9-4-2-8(6-10)3-5-9/h2-5H,7H2,1H3 |
| InChIKey | UEGGGMSZDXLERB-UHFFFAOYSA-N |
| Mol Weight | 179.24 g/mol |
| Molecular Formula | C9H9NOS |
| Exact Mass | 179.040485 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JQbQTW6UIfH |
|---|---|
| Name | (S)-4-(Methylsulfinylmethyl)benzonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H9NOS |
| InChI | InChI=1S/C9H9NOS/c1-12(11)7-9-4-2-8(6-10)3-5-9/h2-5H,7H2,1H3 |
| InChIKey | UEGGGMSZDXLERB-UHFFFAOYSA-N |
| Molecular Weight | 179.237 g/mol |
| SMILES | C(#N)c1ccc(C[S@@](=O)C)cc1 |
| SPLASH | splash10-014i-1900000000-fd702533e7b01e6a7b5e |
| Source of Spectrum | QC-6-1566-10 |
| Synonyms | 4-[(Methylsulfinyl)methyl]benzonitrile |
| Wiley ID | 868875 |