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Methyl 4-methyl-4-nitropentanoate
SpectraBase Compound ID F1sBIsm2zDf
InChI InChI=1S/C7H13NO4/c1-7(2,8(10)11)5-4-6(9)12-3/h4-5H2,1-3H3
InChIKey MROVMGGCWUQHMR-UHFFFAOYSA-N
Mol Weight 175.18 g/mol
Molecular Formula C7H13NO4
Exact Mass 175.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6oV3XxI3iJK
Name Pentanoic acid, 4-methyl-4-nitro-, methyl ester
CAS Registry Number 16507-02-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13NO4
InChI InChI=1S/C7H13NO4/c1-7(2,8(10)11)5-4-6(9)12-3/h4-5H2,1-3H3
InChIKey MROVMGGCWUQHMR-UHFFFAOYSA-N
Molecular Weight 175.184 g/mol
SMILES CC(CCC(OC)=O)(N(=O)=O)C
SPLASH splash10-00ou-9000000000-4ff292227bdbb3aa4a2d
Source of Spectrum W5-11582-0-0
Synonyms Valeric acid, 4-methyl-4-nitro-, methyl ester 4-Methyl-4-nitro-valeric acid methyl ester 4-Methyl-4-nitropentanoic acid methyl ester Methyl 4-methyl-4-nitro-pentanoate Methyl 4-nitro-4-valerate
Wiley ID 1171293