| SpectraBase Spectrum ID |
6ZwjcokUzRu |
| Name |
2-(Cyanomethyl)benzoic acid 2,2,4,4-tetramethyl-3-oxopentyl ester |
| Alternate Name(s) |
2,2,4,4-tetramethyl-3-oxopentyl 2-(cyanomethyl)benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H23NO3 |
| InChI |
InChI=1S/C18H23NO3/c1-17(2,3)16(21)18(4,5)12-22-15(20)14-9-7-6-8-13(14)10-11-19/h6-9H,10,12H2,1-5H3 |
| InChIKey |
MITMDXMGNGFVHQ-UHFFFAOYSA-N |
| Molecular Weight |
301.386 g/mol |
| SMILES |
C(c1c(cccc1)CC#N)(=O)OCC(C(C(C)(C)C)=O)(C)C |
| SPLASH |
splash10-01ox-3950000000-10590250da5f73330cbb |
| Source of Spectrum |
KC-61-9581-10 |
| Wiley ID |
1630762 |
