| SpectraBase Spectrum ID |
GDL90TGICBf |
| Name |
Ambroxide |
| CAS Registry Number |
6790-58-5 |
| 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 |
236.214015521 u |
| Formula |
C16H28O |
| 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/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16+/m0/s1 |
| InChIKey |
YPZUZOLGGMJZJO-LQKXBSAESA-N |
| Molecular Weight |
236.399 g/mol |
| Nominal Mass |
236 u |
| Number of Peaks |
116 |
| SMILES |
C1CC([C@]2([C@](C1)([C@@]1([C@@](CC2)(OCC1)C)[H])C)[H])(C)C |
| SPLASH |
splash10-006y-9220000000-21feb5fd15e065d545dc |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000052 |
