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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KrBaOoznPv
Name BUTANOIC ACID, OCTYL ESTER
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 200.177630011 u
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
Molecular Weight 200.322 g/mol
Nominal Mass 200 u
Number of Peaks 55
SMILES C(CCCCCC)COC(=O)CCC
SPLASH splash10-059f-9000000000-424d2e85547ea9d45b73
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000380