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n-Octyl butyrate

View entire compound with spectra: 4 NMR, 10 FTIR, 1 Raman, and 11 MS (GC)

n-Octyl butyrate
SpectraBase Compound ID Ag2AktEIEoL
InChI InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3
InChIKey PWLNAUNEAKQYLH-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID imkh1Je7dw
Name BUTYRIC ACID, OCTYL ESTER
Source of Sample Research Organic/Inorganic Chemical Corporation, Belleville, New Jersey
Boiling Point 244C
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3
InChIKey PWLNAUNEAKQYLH-UHFFFAOYSA-N
Melting Point -56C
Molecular Weight 200.32
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3