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(1S,7R,8aS)-1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl)-azulene
SpectraBase Compound ID 9gQmy4GbB3D
InChI InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3/t12-,13+,15-/m0/s1
InChIKey YHAJBLWYOIUHHM-GUTXKFCHSA-N
Mol Weight 204.36 g/mol
Molecular Formula C15H24
Exact Mass 204.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AmRY7F6xc
Name Bulnesene
CAS Registry Number 3691-11-0
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 204.187800773 u
Formula C15H24
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3/t12-,13+,15-/m0/s1
InChIKey YHAJBLWYOIUHHM-GUTXKFCHSA-N
Molecular Weight 204.357 g/mol
Nominal Mass 204 u
Number of Peaks 141
SMILES C[C@@]1([C@]2(C(=C(C)CC[C@](C2)(C(C)=C)[H])CC1)[H])[H]
SPLASH splash10-0a4l-8900000000-89439423dd6066bf4397
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000199