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Methylbutyrate
SpectraBase Compound ID 6mr44CNbBix
InChI InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
InChIKey UUIQMZJEGPQKFD-UHFFFAOYSA-N
Mol Weight 102.13 g/mol
Molecular Formula C5H10O2
Exact Mass 102.06808 g/mol

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2qUCCB5IfCi
Name Butanoic acid, methyl ester
CAS Registry Number 623-42-7
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Formula C5H10O2
InChI InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
InChIKey UUIQMZJEGPQKFD-UHFFFAOYSA-N
Instrument Name SF = 060 MHz
Literature Reference Helv. Chim. Acta 63, 498 (1980).
NMR Standard not reported
Observed nucleus 17O
Solvent Neat liquid