| SpectraBase Spectrum ID |
CHh3z6SaLQW |
| Name |
Chamazulene |
| CAS Registry Number |
529-05-5 |
| 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 |
184.125200515 u |
| Formula |
C14H16 |
| 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/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3 |
| InChIKey |
GXGJIOMUZAGVEH-UHFFFAOYSA-N |
| Molecular Weight |
184.282 g/mol |
| Nominal Mass |
184 u |
| Number of Peaks |
99 |
| SMILES |
Cc1c2c(c(C)ccc(c2)CC)cc1 |
| SPLASH |
splash10-0gc0-2900000000-70b2d47d6353ea09c73b |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001483 |
