| SpectraBase Spectrum ID |
HlC9kCXZC2h |
| Name |
4-Hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-diene-1-carboxaldehyde |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
180.078644243 u |
| Formula |
C10H12O3 |
| InChI |
InChI=1S/C10H12O3/c1-6-7(5-11)10(2,3)4-8(12)9(6)13/h4-5,12H,1-3H3 |
| InChIKey |
COUDKMJLVVETJL-UHFFFAOYSA-N |
| Instrument Name |
HP 5890 Series II-5972 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jsfa.3679 |
| Molecular Weight |
180.203 g/mol |
| Number of Peaks |
4 |
| SMILES |
OC=1C(C(=C(C(C1)(C)C)C=O)C)=O |
| SPLASH |
splash10-0abi-0900000000-bedc5941652f594f4251 |
| Source of Spectrum |
SFA-89-1953-2 (DOI: 10.1002/jsfa.3679) |
| Wiley ID |
1840256 |
