| SpectraBase Spectrum ID |
JJ9DpzTk53o |
| Name |
Atractylon |
| CAS Registry Number |
6989-21-5 |
| Classification |
Sesquiterpenoid, alleviating influenza |
| 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 |
216.151415263 u |
| Formula |
C15H20O |
| InChI |
InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1 |
| InChIKey |
TYPSVDGIQAOBAD-DZGCQCFKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
216.324 g/mol |
| Nominal Mass |
216 u |
| Quality |
956 |
| Retention Index |
1645 |
| SMILES |
[C@]12([C@@](CC3=C(C2)C(=CO3)C)(CCCC1=C)C)[H] |
| SPLASH |
splash10-0aor-5920000000-e8b2cabb0947a7cacabf |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032290 |
