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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) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4FZ5PsjUp2x
Name Octyl butyrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W280704
CAS Registry Number 110-39-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 13C
Purity >=98%, FG
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms BUTANOIC ACID, OCTYL ESTER
Wiley ID SIAL_13CNMR_013096