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ALLYL 3-METHYLBUTANOATE
SpectraBase Compound ID JtQUSwrhyVc
InChI InChI=1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKey HOMAGVUCNZNWBC-UHFFFAOYSA-N
Mol Weight 142.2 g/mol
Molecular Formula C8H14O2
Exact Mass 142.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZIymZIeAqt
Name Allyl isovalerate
CAS Registry Number 2835-39-4
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 142.099379689 u
Formula C8H14O2
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/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKey HOMAGVUCNZNWBC-UHFFFAOYSA-N
Molecular Weight 142.198 g/mol
Nominal Mass 142 u
Number of Peaks 76
SMILES CC(CC(OCC=C)=O)C
SPLASH splash10-052f-9000000000-a3b666683cdc924b70cd
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001430