| SpectraBase Spectrum ID |
Aq0UO9d9joP |
| Name |
Caryophyllane <4,8-beta-epoxy-> |
| CAS Registry Number |
178737-42-3 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
222.198365456 u |
| Formula |
C15H26O |
| InChI |
InChI=1S/C15H26O/c1-10-5-8-13-14(3,4)9-15(13)11(2)6-7-12(10)16-15/h10-13H,5-9H2,1-4H3/t10-,11-,12-,13?,15+/m0/s1 |
| InChIKey |
OXVAUEDLIRGRMW-YRKWHKOWSA-N |
| Molecular Weight |
222.372 g/mol |
| Number of Peaks |
50 |
| RI1 |
1428 |
| SMILES |
[C@@]123CC(C3CC[C@@]([C@](CC[C@@]1(C)[H])(O2)[H])(C)[H])(C)C |
| SPLASH |
splash10-0536-9200000000-0b45122a034d39b867c1 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
12-oxatricyclo(6,3,1,02,5)dodecane, 1,4,4,8-tetramethyl-, (1alpha,2beta,5alpha,8alpha)- |
| Wiley ID |
LM_FFNSC3_2590 |
