| SpectraBase Spectrum ID |
JQ7qnn6owck |
| Name |
Isonootkatone |
| Classification |
Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| 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 |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11H,5-7,9H2,1-4H3/t11-,15+/m1/s1 |
| InChIKey |
NIIPDXITZPFFTE-ABAIWWIYSA-N |
| Molecular Weight |
218.340 g/mol |
| Number of Peaks |
28 |
| SMILES |
C(C)(=C1CCC2=CC(C[C@]([C@@]2(C1)C)(C)[H])=O)C |
| SPLASH |
splash10-0673-7910000000-17204c149c0a43133e32 |
| Source of Spectrum |
FF-15-159-B (DOI: 10.1002_1099-1026(200005_06)15_3_153) |
| Synonyms |
.alpha.-Vetivone
(4R,4aS)-4,4a-dimethyl-6-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one |
| Wiley ID |
1782993 |
![(4R,4aS)-(+)-4,4a-Dimethyl-6-isopropylidene-4,4a,5,6,7,8-hexahydro(3H)-naphthalen-2-one [(+)-.alpha.-vetivone]](/api/spectrum/JQ7qnn6owck/structure.png?h=300&w=458 "(4R,4aS)-(+)-4,4a-Dimethyl-6-isopropylidene-4,4a,5,6,7,8-hexahydro(3H)-naphthalen-2-one [(+)-.alpha.-vetivone]")
