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Neodecanoic acid
SpectraBase Compound ID 8DafYNnzDiy
InChI InChI=1S/C10H20O2/c1-4-5-6-7-8-10(2,3)9(11)12/h4-8H2,1-3H3,(H,11,12)
InChIKey IKNDGHRNXGEHTO-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 84dA7ZeHqTZ
Name Neodecanoic acid
CAS Registry Number 26896-20-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-5-6-7-8-10(2,3)9(11)12/h4-8H2,1-3H3,(H,11,12)
InChIKey IKNDGHRNXGEHTO-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES OC(=O)C(CCCCCC)(C)C
SPLASH splash10-000l-9100000000-d6789f9649264ed259eb
Source of Spectrum NP-2-5875-0
Synonyms 2,2-Dimethyloctanoic acid
Wiley ID 1101338