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3,4,5,5-TETRAMETHYLCYCLOPENTA-1,3-DIENECARBOXYLIC_ACID
SpectraBase Compound ID JuRjscVWbcg
InChI InChI=1S/C10H14O2/c1-6-5-8(9(11)12)10(3,4)7(6)2/h5H,1-4H3,(H,11,12)
InChIKey XOESZZWAIZMVCI-UHFFFAOYSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2TMoSP4Wz8
Name Cyclopentadiene carboxylic acid<3,4,5,5-tetramethyl-1,3->
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 166.099379689 u
Formula C10H14O2
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/C10H14O2/c1-6-5-8(9(11)12)10(3,4)7(6)2/h5H,1-4H3,(H,11,12)
InChIKey XOESZZWAIZMVCI-UHFFFAOYSA-N
Molecular Weight 166.220 g/mol
Nominal Mass 166 u
Number of Peaks 52
SMILES OC(C1=CC(=C(C1(C)C)C)C)=O
SPLASH splash10-0a4l-7900000000-170d14ffef82a16f50ec
Source ex LAVANDULA LUISIERI ex NICOLAS BALDOVINI
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000431