| SpectraBase Spectrum ID |
B4T9fg2uRiC |
| Name |
Caryophyllene oxide |
| CAS Registry Number |
1139-30-6 |
| Classification |
Flavor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
220.182715392 u |
| Formula |
C15H24O |
| InChI |
InChI=1S/C15H24O/c1-10-8-13-15(4,16-13)7-5-6-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13?,15+/m1/s1 |
| InChIKey |
ZRCNAHAIDOQGGT-BDMBVICOSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
220.356 g/mol |
| Nominal Mass |
220 u |
| Quality |
992 |
| Retention Index |
1669 |
| SMILES |
[C@@]12([C@](C(C2)(C)C)(CCC[C@]2(C(O2)CC1=C)C)[H])[H] |
| SPLASH |
splash10-0006-9400000000-d9ef0946654432731fe4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1R,6R,10S)-4r,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032049 |
