| SpectraBase Spectrum ID |
2kt9aJiJbXc |
| Name |
Curlone |
| CAS Registry Number |
87440-60-6 |
| Classification |
Sesquiterpenoid |
| 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 |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-14H,3,6,8,10H2,1-2,4H3/t13-,14-/m0/s1 |
| InChIKey |
JIJQKFPGBBEJNF-KBPBESRZSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
218.340 g/mol |
| Nominal Mass |
218 u |
| Quality |
991 |
| Retention Index |
1613 |
| SMILES |
[C@@]1([C@](CC(C=C(C)C)=O)(C)[H])(C=CC(CC1)=C)[H] |
| SPLASH |
splash10-00di-8900000000-9cce7cf112887c70dbda |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(6S)-2-methyl-6-[(1S)-4-methylene-2-cyclohexen-1-yl]-2-hepten-4-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032472 |
