| SpectraBase Spectrum ID |
8WPyCj2OVqr |
| Name |
3,5,5-Trimethyl-2-cyclohexene-1-one |
| 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 |
138.104465070 u |
| Formula |
C9H14O |
| InChI |
InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3 |
| InChIKey |
HJOVHMDZYOCNQW-UHFFFAOYSA-N |
| Instrument Name |
HP 5890 Series II-5972 or Varian CP 3800-Saturn 2200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jsfa.3679 |
| Molecular Weight |
138.210 g/mol |
| Number of Peaks |
5 |
| SMILES |
C1(C=C(CC(C1)(C)C)C)=O |
| SPLASH |
splash10-001i-9100000000-d918a36a51352156dca2 |
| Source of Spectrum |
SFA-89-1953-4 (DOI: 10.1002/jsfa.3679) |
| Synonyms |
Isophorone |
| Wiley ID |
1840258 |
