| SpectraBase Spectrum ID |
3B8YOGJil6 |
| Name |
2-Hexenoic acid, 2-(1,1-dimethylethyl)-5,5-dimethyl-4-oxo-, methyl ester |
| Alternate Name(s) |
Methyl (2E)-2-tert-butyl-5,5-dimethyl-4-oxo-2-hexenoate
Methyl-5,5-dimethyl-4-oxo-2-t-butyl-hex-2-enoate |
| CAS Registry Number |
65077-03-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H22O3 |
| InChI |
InChI=1S/C13H22O3/c1-12(2,3)9(11(15)16-7)8-10(14)13(4,5)6/h8H,1-7H3/b9-8- |
| InChIKey |
NMCPVVDHCAKLNN-HJWRWDBZSA-N |
| Molecular Weight |
226.316 g/mol |
| SMILES |
C(\C=C\(C(=O)OC)C(C)(C)C)(C(C)(C)C)=O |
| SPLASH |
splash10-0avi-0900000000-3c4d01afc4ed3da60871 |
| Source of Spectrum |
SB-31-558-0 |
| Wiley ID |
1227534 |
