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ZTULNMNIVVMLIU-UHFFFAOYSA-N
SpectraBase Compound ID HMhz6ihsgtK
InChI InChI=1S/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3
InChIKey ZTULNMNIVVMLIU-UHFFFAOYSA-N
Mol Weight 130.19 g/mol
Molecular Formula C7H14O2
Exact Mass 130.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XMBmL8qJGK
Name Methyl pentanoate<2-methyl->
CAS Registry Number 2177-77-7
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 130.099379689 u
Formula C7H14O2
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/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3
InChIKey ZTULNMNIVVMLIU-UHFFFAOYSA-N
Molecular Weight 130.187 g/mol
Nominal Mass 130 u
Number of Peaks 52
SMILES C(C(CCC)C)(OC)=O
SPLASH splash10-000l-9000000000-dd8c3b11a3254217c0e3
Source ex BEDOUKIAN ex JJ BROPHY
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001899