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4-.beta.-Methoxycaryophyllene-5.alpha.-ol
SpectraBase Compound ID 2TZWKvA9kw7
InChI InChI=1S/C16H28O2/c1-11-6-7-14(17)16(4,18-5)9-8-13-12(11)10-15(13,2)3/h12-14,17H,1,6-10H2,2-5H3/t12-,13-,14-,16-/m1/s1
InChIKey UCPAPWSEYWYSAD-IXYNUQLISA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1mChrAi6Qy
Name 4-.beta.-Methoxycaryophyllene-5.alpha.-ol
Alternate Name(s) (1S,5R,6R,9R)-6-methoxy-6,10,10-trimethyl-2-methylenebicyclo[7.2.0]undecan-5-ol
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Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-11-6-7-14(17)16(4,18-5)9-8-13-12(11)10-15(13,2)3/h12-14,17H,1,6-10H2,2-5H3/t12-,13-,14-,16-/m1/s1
InChIKey UCPAPWSEYWYSAD-IXYNUQLISA-N
Molecular Weight 252.398 g/mol
SMILES O[C@@]1(CCC([C@@]2([C@](CC[C@]1(OC)C)([H])C(C2)(C)C)[H])=C)[H]
SPLASH splash10-0006-7900000000-c1ae76e7d810028b3f18
Source of Spectrum F-52-7969-14
Wiley ID 796984