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Methyl heptanoate

View entire compound with spectra: 12 NMR, 11 FTIR, 2 Raman, and 37 MS (GC)

Methyl heptanoate
SpectraBase Compound ID OmwagJ0yuE
InChI InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
InChIKey XNCNNDVCAUWAIT-UHFFFAOYSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2NSeN0SRqw
Name HEPTANOIC_ACID-METHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H16O2
InChI InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
InChIKey XNCNNDVCAUWAIT-UHFFFAOYSA-N
Literature Reference Author B.WRACKMEYER,K.VON-WERNER,F.WEHOWSKY
Literature Reference Citation J.FLUOR.CHEM.,35,359(1987)
Literature Reference DOI 10.1016/s0022-1139(00)85018-6
Molecular Weight 144.214 g/mol
Solvent CDCl3
Source File Reference UHPK2200