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Octanoic acid butyl ester

Compound with spectra: 2 NMR, 2 FTIR, and 8 MS (GC)

Octanoic acid butyl ester
SpectraBase Compound ID E5PEhZdAAo0
InChI InChI=1S/C12H24O2/c1-3-5-7-8-9-10-12(13)14-11-6-4-2/h3-11H2,1-2H3
InChIKey PSXNDMJWRZYVTM-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample M. Dymicky, U.S. Dept. of Agriculture, Errc, Philadelphia, Pennsylvania
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20

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1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CDCl3

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FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample M. Dymicky, USDA, Eastern Regional Research Center, Philadelphia, Pennsylvania
Technique CAPILLARY CELL: NEAT

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Vapor Phase IR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum UT-1990-1732-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum UT-1990-1118-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum UT-1990-1742-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-5311-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum PR-877-0-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum LQ-1992-1242-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum LQ-1992-3009-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-6433-0
  • Butyl octanoate
Heptanoic acid, butyl ester
octanoic acid, heptyl ester
Heptanedioic acid dibutyl ester
Octanoic acid, propyl ester
Decanoic acid, pentyl ester
6-Hydroxyhexanoic acid butyl ester
Hexanoic acid butyl ester
Myristic acid, pentyl ester
SEBACIC ACID, DIHEXYL ESTER
nonanoic acid, heptyl ester

Wiley Registry of Mass Spectral Data 12th Edition
Author: Wiley

The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library. Learn more.

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