| SpectraBase Spectrum ID |
5UyQL3OdBuS |
| Name |
Acetylcedrene |
| CAS Registry Number |
32388-56-0 |
| Classification |
Fragrance |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
246.198365456 u |
| Formula |
C17H26O |
| InChI |
InChI=1S/C17H26O/c1-10-6-7-17-9-14(10)16(4,5)15(17)8-13(11(17)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14?,15+,17+/m1/s1 |
| InChIKey |
LXCUHXBHEVPBBX-MYXXOAOZSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
246.394 g/mol |
| Nominal Mass |
246 u |
| Quality |
999 |
| Retention Index |
1896 |
| SMILES |
[C@]12([C@]3(C(=C(C2)C(=O)C)C)CC(C1(C)C)[C@@](CC3)(C)[H])[H] |
| SPLASH |
splash10-0006-7910000000-b05de87b5571c0fb98b2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-((3aR,6R,8aS)-3,6,8,8-tetramethyl-4,5,6,7,8,8a-hexahydro-1H-3a,7-methanoazulen-2-yl)ethan-\r1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008288 |
