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4-Methyl-4-nitropentanoic acid
SpectraBase Compound ID AQSN6tzLwkY
InChI InChI=1S/C6H11NO4/c1-6(2,7(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)
InChIKey KHKJLJHJTQRHSA-UHFFFAOYSA-N
Mol Weight 161.16 g/mol
Molecular Formula C6H11NO4
Exact Mass 161.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41f9TREoDws
Name 4-Methyl-4-nitropentanoic acid
Alternate Name(s) 4-Methyl-4-nitro-valeric acid
CAS Registry Number 23102-02-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H11NO4
InChI InChI=1S/C6H11NO4/c1-6(2,7(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)
InChIKey KHKJLJHJTQRHSA-UHFFFAOYSA-N
Molecular Weight 161.157 g/mol
SMILES OC(CCC(C)(C)N(=O)=O)=O
SPLASH splash10-014i-9000000000-d33d6dc1bcbfb10964c2
Source of Spectrum O-27-741-0
Wiley ID 1157524