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(1R,4R,5R,9S)-4,5-Dihydrocaryophyllen-5-ol acetate
SpectraBase Compound ID BROuwU7nsR6
InChI InChI=1S/C17H28O2/c1-11-7-9-16(19-13(3)18)12(2)6-8-15-14(11)10-17(15,4)5/h12,14-16H,1,6-10H2,2-5H3/t12-,14-,15-,16-/m1/s1
InChIKey BLMDJVOQCTWFOL-DTZQCDIJSA-N
Mol Weight 264.41 g/mol
Molecular Formula C17H28O2
Exact Mass 264.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K34FkpzaN6h
Name (1R,4R,5R,9S)-4,5-Dihydrocaryophyllen-5-ol acetate
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Formula C17H28O2
InChI InChI=1S/C17H28O2/c1-11-7-9-16(19-13(3)18)12(2)6-8-15-14(11)10-17(15,4)5/h12,14-16H,1,6-10H2,2-5H3/t12-,14-,15-,16-/m1/s1
InChIKey BLMDJVOQCTWFOL-DTZQCDIJSA-N
Molecular Weight 264.409 g/mol
SMILES [C@]12([C@](CC[C@](C)([H])[C@](OC(=O)C)(CCC2=C)[H])([H])C(C1)(C)C)[H]
SPLASH splash10-001l-9710000000-1fe18c35277993bc693d
Source of Spectrum O1-25-117-9
Synonyms (1R,4R,5S,9S)-4,5-Dihydrocaryophyllen-5-ol acetate (1S,5R,6R,9R)-6,10,10-trimethyl-2-methylenebicyclo[7.2.0]undec-5-yl acetate
Wiley ID 1536651