| SpectraBase Spectrum ID |
8IcU8RotL2e |
| Name |
Ambroxide |
| CAS Registry Number |
100679-85-4 |
| Classification |
Flavor, fragrance |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
236.214015521 u |
| Formula |
C16H28O |
| 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
236.399 g/mol |
| Nominal Mass |
236 u |
| Quality |
988 |
| Retention Index |
1781 |
| SMILES |
[C@@]12([C@@]3([C@@](CC[C@]2(C(CCC1)(C)C)[H])(OCC3)C)[H])C |
| SPLASH |
splash10-00di-9780000000-8ee7a1bc8ecb65d2a50b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ambrox
(3aR,5aS,9aS,9bR)-3a,6,6,9a-Tetramethyldodecahydronaphtho[2,1-b]furan |
| Technique |
GC/MS |
| Wiley ID |
DD2024_027655 |
