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2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, [4R-(4.alpha.,4a.alpha.,6.beta.)]-

View entire compound with spectra: 2 NMR, 1 FTIR, and 14 MS (GC)

2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, [4R-(4.alpha.,4a.alpha.,6.beta.)]-
SpectraBase Compound ID 4oEhFUSghD3
InChI InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3
InChIKey WTOYNNBCKUYIKC-UHFFFAOYSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44rj4zWRpyK
Name 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, [4R-(4.alpha.,4a.alpha.,6.beta.)]-
CAS Registry Number 4674-50-4
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/h8,11-12H,1,5-7,9H2,2-4H3
InChIKey WTOYNNBCKUYIKC-UHFFFAOYSA-N
Molecular Weight 218.340 g/mol
SMILES C1(=O)CC(C)C2(C(CCC(C2)C(=C)C)=C1)C
SPLASH splash10-052f-9700000000-3f14af9c1196d0fc7e74
Source of Spectrum TA-0-1020-0
Synonyms 4.beta.H,5.alpha.-Eremophila-1(10),11-dien-2-one Nootkatone 6-Isopropenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone (4R-(4alpha,4aalpha,6beta))-4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylvinyl)naphthalen-2(3H)-one 1(10),11-eremophiladien-2-one 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)- 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R)- 4,4a,5,6,7,8-Hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-2(3H)-naphthalenone, [4R-(4.alpha.,4a.alpha.,6.beta.)]- 4,4a,5,6,7,8-hexahydro-6-isopropenyl-4,4a-dimethyl-2(3H)-naphthalenone 4,4a-dimethyl-6-(1-methylethenyl)-3,4,5,6,7,8-hexahydronaphthalen-2-one 4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one 4.beta.H,5.alpha.-Eremorphila-1(10)11-dien-2-one 4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydro-7-keto-3-isopropenylnaphthalene 5,6-Dimethyl-8-isopropenylbicyclo(4.4.0)dec-1-en-3-one 6-isopropenyl-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one EINECS 225-124-4 FEMA NO. 3166
Wiley ID 1218219