| SpectraBase Spectrum ID |
2SFP4BqokqD |
| Name |
2-(3'-formylbutylthio)benzonitrile |
| Alternate Name(s) |
2-[(3-methyl-4-oxobutyl)sulfanyl]benzonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13NOS |
| InChI |
InChI=1S/C12H13NOS/c1-10(9-14)6-7-15-12-5-3-2-4-11(12)8-13/h2-5,9-10H,6-7H2,1H3 |
| InChIKey |
VWKLLRJXUDLICC-UHFFFAOYSA-N |
| Molecular Weight |
219.302 g/mol |
| SMILES |
C(#N)c1c(SCCC(C=O)C)cccc1 |
| SPLASH |
splash10-03ds-2900000000-86e85cb86709d3424d8c |
| Source of Spectrum |
JA-50-807-0 |
| Wiley ID |
1218795 |
