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alpha-THUJEN
SpectraBase Compound ID 1wIkxHmLD3U
InChI InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3
InChIKey KQAZVFVOEIRWHN-UHFFFAOYSA-N
Mol Weight 136.24 g/mol
Molecular Formula C10H16
Exact Mass 136.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sjxLHk1aQ4
Name Thujene
CAS Registry Number 2867-05-2
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 136.125200515 u
Formula C10H16
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/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3
InChIKey KQAZVFVOEIRWHN-UHFFFAOYSA-N
Molecular Weight 136.238 g/mol
Nominal Mass 136 u
Number of Peaks 77
SMILES CC(C)C12C(C(C)=CC2)C1
SPLASH splash10-0006-9000000000-934bb7531265072bb01d
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA002099