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(3Z)-3-Hexenyl 2-methylbutanoate
SpectraBase Compound ID FwgmbePYsa7
InChI InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
InChIKey JKKGTSUICJWEKB-SREVYHEPSA-N
Mol Weight 184.28 g/mol
Molecular Formula C11H20O2
Exact Mass 184.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1g6wwh18Oe
Name Hexenyl 2-methyl butanoate<3Z->
CAS Registry Number 53398-85-9
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 184.146329882 u
Formula C11H20O2
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/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
InChIKey JKKGTSUICJWEKB-SREVYHEPSA-N
Molecular Weight 184.279 g/mol
Nominal Mass 184 u
Number of Peaks 44
SMILES CCC(C(OCC\C=C/CC)=O)C
SPLASH splash10-0aou-9000000000-f571586255f220e14ce3
Source ex ALDRICH
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001722