| SpectraBase Spectrum ID |
HYgWby5Ojyy |
| Name |
3-Cyano-1,1-dimethyl-2-oxopropyl benzenecarboxylate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13NO3 |
| InChI |
InChI=1S/C13H13NO3/c1-13(2,11(15)8-9-14)17-12(16)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3 |
| InChIKey |
MTRYFIIUDDQJLI-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol1011532 |
| Molecular Weight |
231.251 g/mol |
| SMILES |
C(C)(OC(c1ccccc1)=O)(C(CC#N)=O)C |
| SPLASH |
splash10-0pdi-9700000000-bfdd7b767282c7352ced |
| Source of Spectrum |
A1-12-3200/SM9-24 |
| Synonyms |
4-Cyano-2-methyl-3-oxobutan-2-yl benzoate |
| Wiley ID |
1752401 |
