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8-.beta.-Methoxy-5.alpha.-hydroxycaryophylla-3(4)-ene
SpectraBase Compound ID 8PrnxRjg0CV
InChI InChI=1S/C16H28O2/c1-11-6-7-12-13(10-15(12,2)3)16(4,18-5)9-8-14(11)17/h6,12-14,17H,7-10H2,1-5H3/b11-6+/t12-,13+,14-,16-/m1/s1
InChIKey MLLUZZWVSZOUFJ-VXBHBCRUSA-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 JqTTRM1y7IH
Name 8-.beta.-Methoxy-5.alpha.-hydroxycaryophylla-3(4)-ene
Alternate Name(s) (1R,5R,8R,9S)-8-methoxy-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol
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Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-11-6-7-12-13(10-15(12,2)3)16(4,18-5)9-8-14(11)17/h6,12-14,17H,7-10H2,1-5H3/b11-6+/t12-,13+,14-,16-/m1/s1
InChIKey MLLUZZWVSZOUFJ-VXBHBCRUSA-N
Molecular Weight 252.398 g/mol
SMILES O[C@@]1(CC[C@]([C@@]2([C@](C\C=C\1C)([H])C(C2)(C)C)[H])(OC)C)[H]
SPLASH splash10-0a4i-3900000000-ab999995a9b761ad9659
Source of Spectrum F-54-1620-5
Wiley ID 805916