| SpectraBase Spectrum ID |
IGZl8ZQO5gv |
| Name |
Acetic acid, (6,6-dimethyl-4-oxo-2-cyclohexen-1-ylidene)hydroxy-, ethyl ester |
| CAS Registry Number |
81478-81-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O4 |
| InChI |
InChI=1S/C12H16O4/c1-4-16-11(15)10(14)9-6-5-8(13)7-12(9,2)3/h5-6,14H,4,7H2,1-3H3/b10-9+ |
| InChIKey |
YSPUSEJGAPJPGC-MDZDMXLPSA-N |
| Molecular Weight |
224.256 g/mol |
| SMILES |
O\C(=C\1C(CC(C=C1)=O)(C)C)C(=O)OCC |
| SPLASH |
splash10-0udi-0900000000-580deb31bf85be1a17e3 |
| Source of Spectrum |
K-115-1241-0 |
| Synonyms |
ethyl (2E)-(6,6-dimethyl-4-oxo-2-cyclohexen-1-ylidene)(hydroxy)ethanoate
Ethyl ester of 6,6-dimethyl-4-oxo-2-cyclohexene-1-glyoxylic acid |
| Wiley ID |
1224933 |
