| SpectraBase Spectrum ID |
6jSxw2IIvlf |
| Name |
1-Cyanobutyl benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13NO2 |
| InChI |
InChI=1S/C12H13NO2/c1-2-6-11(9-13)15-12(14)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6H2,1H3 |
| InChIKey |
KLBPTYDKNMTJIP-UHFFFAOYSA-N |
| Molecular Weight |
203.241 g/mol |
| SMILES |
C(OC(C#N)CCC)(=O)c1ccccc1 |
| SPLASH |
splash10-0a4i-0900000000-fee22d8f6272ab19333b |
| Source of Spectrum |
SO-0-1189-3 |
| Synonyms |
benzoic acid 1-cyanobutyl ester |
| Wiley ID |
873958 |
