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Hexanoic acid, 3-(acetyloxy)-2-methylene-, methyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Hexanoic acid, 3-(acetyloxy)-2-methylene-, methyl ester
SpectraBase Compound ID DuAdUa4GtZ1
InChI InChI=1S/C10H16O4/c1-5-6-9(14-8(3)11)7(2)10(12)13-4/h9H,2,5-6H2,1,3-4H3
InChIKey GSNPFCFUDGEFNR-UHFFFAOYSA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5rRBz0xlQz2
Name Hexanoic acid, 3-(acetyloxy)-2-methylene-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.104858991 u
Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-5-6-9(14-8(3)11)7(2)10(12)13-4/h9H,2,5-6H2,1,3-4H3
InChIKey GSNPFCFUDGEFNR-UHFFFAOYSA-N
Molecular Weight 200.234 g/mol
SMILES C(C(=O)OC)(C(OC(=O)C)CCC)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943442