| SpectraBase Spectrum ID |
8oZ2x5dw5Fr |
| Name |
2-Buten-1-one,1-(2,6,6-trimethyl-1-cyclohexen-1-yl) |
| CAS Registry Number |
35044-68-9 |
| Classification |
Fragrance |
| Comments |
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/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5- |
| InChIKey |
BGTBFNDXYDYBEY-ALCCZGGFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
192.302 g/mol |
| Nominal Mass |
192 u |
| Quality |
928 |
| Retention Index |
1387 |
| SMILES |
C1(C(=C(CCC1)C)C(\C=C/C)=O)(C)C |
| SPLASH |
splash10-00bc-7900000000-b4d342fe59b5adeba991 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Delta Damascone
(Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030553 |
