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5-.alpha.-Hydroxycaryophylla-4(12),8(13)-diene
SpectraBase Compound ID 3I34FYOJIin
InChI InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-14,16H,1-2,5-9H2,3-4H3/t12-,13-,14+/m1/s1
InChIKey CIIYOYPOMGIECX-MCIONIFRSA-N
Mol Weight 220.36 g/mol
Molecular Formula C15H24O
Exact Mass 220.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7wkMWYq1h5
Name Caryophylla-4(12),8(13)-dien5-.beta.-ol
CAS Registry Number 19431-80-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-14,16H,1-2,5-9H2,3-4H3/t12-,13-,14+/m1/s1
InChIKey CIIYOYPOMGIECX-MCIONIFRSA-N
Molecular Weight 220.356 g/mol
SMILES O[C@@]1(C(CC[C@@]2([C@@](C(CC1)=C)(CC2(C)C)[H])[H])=C)[H]
SPLASH splash10-0006-9500000000-e8faf1e429635aee3796
Source ex ACHILLEA ERIOPHORA ex PETER WEYERSTAHL
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886035