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Octyl octanoate

View entire compound with spectra: 4 NMR, 4 FTIR, and 6 MS (GC)

Octyl octanoate
SpectraBase Compound ID 28TgupfhrU6
InChI InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3
InChIKey DJNTZVRUYMHBTD-UHFFFAOYSA-N
Mol Weight 256.4 g/mol
Molecular Formula C16H32O2
Exact Mass 256.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4sA1c8XnG1I
Name OCTANOIC ACID, OCTYL ESTER
Source of Sample Lachat Chemicals, Inc., Chicago Heights, Illinois
Boiling Point 307C
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H32O2
InChI InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3
InChIKey DJNTZVRUYMHBTD-UHFFFAOYSA-N
Melting Point -18 to -19C
Molecular Weight 256.43
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20