| SpectraBase Spectrum ID |
8JtFh9a3q3k |
| Name |
beta-Ionone |
| CAS Registry Number |
14901-07-6 |
| Classification |
Flavor |
| 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 |
192.151415263 u |
| Formula |
C13H20O |
| InChI |
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+ |
| InChIKey |
PSQYTAPXSHCGMF-BQYQJAHWSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
192.302 g/mol |
| Nominal Mass |
192 u |
| Quality |
993 |
| Retention Index |
1463 |
| SMILES |
C1(C(=C(CCC1)C)\C=C\C(=O)C)(C)C |
| SPLASH |
splash10-004l-5900000000-5ea9ff8b9fa052ba5936 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_023813 |
