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Neopentyl pentanoate
SpectraBase Compound ID 79aVJ3XTkh7
InChI InChI=1S/C10H20O2/c1-5-6-7-9(11)12-8-10(2,3)4/h5-8H2,1-4H3
InChIKey IOOFSIHULDYXPH-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LgZse2lh0l
Name Neopentyl pentanoate
Alternate Name(s) 2,2-Dimethylpropyl pentanoate Pentanoic acid 2,2-dimethylpropyl ester Valeric acid, 2,2-dimethylpropyl ester valeric acid neopentyl ester
CAS Registry Number 23361-71-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-5-6-7-9(11)12-8-10(2,3)4/h5-8H2,1-4H3
InChIKey IOOFSIHULDYXPH-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES C(COC(CCCC)=O)(C)(C)C
SPLASH splash10-052r-9000000000-2ea9388b0c6a0112f625
Source of Spectrum NP-2-5915-0
Wiley ID 1101361