| SpectraBase Spectrum ID |
BRrct3k1bzG |
| Name |
Zerumbone |
| CAS Registry Number |
471-05-6 |
| 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 |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9+,12-8+,13-7- |
| InChIKey |
GIHNTRQPEMKFKO-WHILTJODSA-N |
| Molecular Weight |
218.340 g/mol |
| Number of Peaks |
50 |
| RI1 |
1731 |
| SMILES |
C\C=1C(=O)\C=C\C(C\C=C\(CCC/1)C)(C)C |
| SPLASH |
splash10-052o-9500000000-737a8619cb38f8e745f1 |
| 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 |
2,6,10-Cycloundecatrien-1-one, 2,6,9,9-tetramethyl- |
| Wiley ID |
LM_FFNSC3_2950 |
