| SpectraBase Spectrum ID |
Ei804B1Yb9q |
| Name |
3-Oxo-.alpha.-damascone |
| Alternate Name(s) |
3,5,5-trimethyl-4-[(E)-1-oxobut-2-enyl]-1-cyclohex-2-enone
4-[(2E)-2-Butenoyl]-3,5,5-trimethyl-2-cyclohexen-1-one
4-[(E)-but-2-enoyl]-3,5,5-trimethyl-cyclohex-2-en-1-one |
| CAS Registry Number |
53398-09-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-7,12H,8H2,1-4H3/b6-5+ |
| InChIKey |
CATMHDIEBOVJJJ-AATRIKPKSA-N |
| Molecular Weight |
206.285 g/mol |
| SMILES |
C=1(C(C(C)(C)CC(C1)=O)C(\C=C\C)=O)C |
| SPLASH |
splash10-01bl-9300000000-483bff36c4452bbf77a9 |
| Source of Spectrum |
PR-47-0-0 |
| Wiley ID |
1204788 |
