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Hexanoic acid ethyl ester
SpectraBase Compound ID mbtA9bTnjR
InChI InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
InChIKey SHZIWNPUGXLXDT-UHFFFAOYSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dl9fTXNpa40
Name Ethyl hexanoate
CAS Registry Number 123-66-0
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 144.115029753 u
Formula C8H16O2
InChI InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
InChIKey SHZIWNPUGXLXDT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 144.214 g/mol
Nominal Mass 144 u
Quality 970
Retention Index 990
SMILES C(CCCCC)(OCC)=O
SPLASH splash10-007c-9100000000-8ff4c8d8f9f78cf1284a
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_006545