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Neopentyl butyrate
SpectraBase Compound ID AMsyiI4uswU
InChI InChI=1S/C9H18O2/c1-5-6-8(10)11-7-9(2,3)4/h5-7H2,1-4H3
InChIKey BLTRSYBDPNEMNK-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrMYKOxTGMV
Name Neopentyl butyrate
Alternate Name(s) 2,2-Dimethylpropyl butanoate Butanoic acid, 2,2-dimethylpropyl ester Butanoic acid 2,2-dimethylpropyl ester Butyric acid neopentyl ester
CAS Registry Number 23361-69-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-5-6-8(10)11-7-9(2,3)4/h5-7H2,1-4H3
InChIKey BLTRSYBDPNEMNK-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES C(COC(CCC)=O)(C)(C)C
SPLASH splash10-00di-9100000000-b4cb1c01858a3a144ca9
Source of Spectrum NP-1-8745-0
Wiley ID 1099817