| SpectraBase Spectrum ID |
J96qjRLX7hQ |
| Name |
(S)-Ethyl 3-methyl-5-((4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)pentanoate |
| CAS Registry Number |
170868-96-9 |
| Classification |
Chemical |
| 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 |
334.287180462 u |
| Formula |
C22H38O2 |
| InChI |
InChI=1S/C22H38O2/c1-7-24-20(23)15-16(2)9-11-18-17(3)10-12-19-21(4,5)13-8-14-22(18,19)6/h16,19H,7-15H2,1-6H3/t16-,19-,22+/m1/s1 |
| InChIKey |
DLCQYCQEAHRTEG-PERKRYKHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
334.544 g/mol |
| Nominal Mass |
334 u |
| Quality |
934 |
| Retention Index |
2509 |
| SMILES |
[C@@]12([C@](C(=C(CC2)C)CC[C@](CC(OCC)=O)(C)[H])(CCCC1(C)C)C)[H] |
| SPLASH |
splash10-05mp-5900000000-ee459b5a4d64245ec02a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
ethyl (3R)-3-methyl-5-((4aR,8aR)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-\r1-yl)pentanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022579 |
