![(4R,4aS)-(+)-4,4a-Dimethyl-6-isopropylidene-4,4a,5,6,7,8-hexahydro(3H)-naphthalen-2-one [(+)-.alpha.-vetivone]](/api/spectrum/L6vb6NqBtk5/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]")
| SpectraBase Compound ID | 9RGYoxswPFF |
|---|---|
| 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 |
| Mol Weight | 218.34 g/mol |
| Molecular Formula | C15H22O |
| Exact Mass | 218.167065 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | L6vb6NqBtk5 |
|---|---|
| Name | (4R,4aS)-(+)-4,4a-Dimethyl-6-isopropylidene-4,4a,5,6,7,8-hexahydro(3H)-naphthalen-2-one [(+)-.alpha.-vetivone] |
| Alternate Name(s) | 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethylidene)-, (4R-cis)- 4.beta.H,5.alpha.-Eremophila-1(10),7(11)-dien-2-one (+)-.alpha.-Vetivon (+)-.alpha.-Vetivone (+)-Isonootkatone (4R,4aS)-4,4a-dimethyl-6-propan-2-ylidene-4,5,7,8-tetrahydro-3H-naphthalen-2-one (-)-.beta.,.gamma.-Nootkatone (4R,4aS)-6-isopropylidene-4,4a-dimethyl-4,5,7,8-tetrahydro-3H-naphthalen-2-one (4R-cis)-4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethylidene)naphthalen-2(3H)-one .alpha.-Vetivone 2(3H)-naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethylidene)-, (4R,4aS)- Isonootkaton Isonootkatone Vetiverone EINECS 239-855-1 |
| CAS Registry Number | 15764-04-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| SMILES | [C@@]12(C(=CC(C[C@]2(C)[H])=O)CCC(C1)=C(C)C)C |
| SPLASH | splash10-0536-9800000000-4e1dc9205eae0ca7a429 |
| Source of Spectrum | H-66-1387-0 |
| Wiley ID | 1218223 |