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2-METHYL-2-PROPYLVALERIANSAEURE

View entire compound with spectra: 11 NMR, and 2 MS (GC)

2-METHYL-2-PROPYLVALERIANSAEURE
SpectraBase Compound ID 1myxHjLcJOY
InChI InChI=1S/C9H18O2/c1-4-6-9(3,7-5-2)8(10)11/h4-7H2,1-3H3,(H,10,11)
InChIKey KTHXOYWHJBTQNC-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 AaU53cWCMJN
Name 2-Methyl-2-propyl-pentanoic acid
Alternate Name(s) 2-Methyl-2-propyl-valeric acid Pentanoic acid, 2-methyl-2-propyl-
CAS Registry Number 31113-56-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-4-6-9(3,7-5-2)8(10)11/h4-7H2,1-3H3,(H,10,11)
InChIKey KTHXOYWHJBTQNC-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES OC(C(CCC)(CCC)C)=O
SPLASH splash10-0avu-9200000000-df798f6f9dd38767e7e3
Wiley ID 1491265