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Thujaplicin <alpha->
SpectraBase Compound ID JF0GtQs5GPH
InChI InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12)
InChIKey TUFYVOCKVJOUIR-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0SV8XuILy9
Name Thujaplicin
CAS Registry Number 1946-74-3
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 164.083729624 u
Formula C10H12O2
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/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12)
InChIKey TUFYVOCKVJOUIR-UHFFFAOYSA-N
Molecular Weight 164.204 g/mol
Nominal Mass 164 u
Number of Peaks 123
SMILES OC=1C(C=CC=CC1C(C)C)=O
SPLASH splash10-01ot-5900000000-c9fec66552c61f371663
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001317