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Allyl heptanoate
SpectraBase Compound ID KZOb0FG4o57
InChI InChI=1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3
InChIKey SJWKGDGUQTWDRV-UHFFFAOYSA-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 F0M5n9uAEzh
Name Allyl heptanoate
CAS Registry Number 142-19-8
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/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3
InChIKey SJWKGDGUQTWDRV-UHFFFAOYSA-N
Molecular Weight 170.252 g/mol
Nominal Mass 170 u
Number of Peaks 105
SMILES CCCCCCC(OCC=C)=O
SPLASH splash10-0006-9100000000-c584bc96b7987c95689b
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001428