| SpectraBase Spectrum ID |
5X0Vxy0Ri5o |
| Name |
alpha-Cetone |
| CAS Registry Number |
114933-28-7 |
| Classification |
Fragrance |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
206.167065327 u |
| Formula |
C14H22O |
| InChI |
InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)11(2)9-12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+ |
| InChIKey |
PSLHSYRVWGKZHP-PKNBQFBNSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
206.329 g/mol |
| Nominal Mass |
206 u |
| Quality |
993 |
| Retention Index |
1487 |
| SMILES |
C1(C(CCC=C1C)(C)C)\C(=C\C(=O)C)C |
| SPLASH |
splash10-0k9i-3900000000-aea7cf2f5f089a50ddc5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-penten-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026954 |
