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Methyl trans-3-nonenoate
SpectraBase Compound ID 8Q6RAEyO7en
InChI InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3/b9-8+
InChIKey ZWNPUELCBZVMDA-CMDGGOBGSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6eic9EcSXi2
Name Methyl-(2E)-nonenoate
CAS Registry Number 14952-06-8
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 170.130679818 u
Formula C10H18O2
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/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3/b9-8+
InChIKey ZWNPUELCBZVMDA-CMDGGOBGSA-N
Molecular Weight 170.252 g/mol
Nominal Mass 170 u
Number of Peaks 100
SMILES C(\C=C\C(OC)=O)CCCCC
SPLASH splash10-0pbd-9100000000-af49c1f85c7b021fcae9
Source ex BEDOUKIAN RES.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001861