| SpectraBase Spectrum ID |
E1Zr2vhbg94 |
| 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 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| 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-RTTFEGKLSA-N |
| Molecular Weight |
218.340 g/mol |
| Nominal Mass |
218 u |
| Number of Peaks |
128 |
| SMILES |
C1\C=C/(CC\C=C/(C(\C=C\C1(C)C)=O)C)C |
| SPLASH |
splash10-052o-9500000000-7691855947342a585498 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001409 |
