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Methyl 4-nitrobutyrate
SpectraBase Compound ID 6FSFM0LU5xf
InChI InChI=1S/C5H9NO4/c1-10-5(7)3-2-4-6(8)9/h2-4H2,1H3
InChIKey UBSPKGKFFQKZJB-UHFFFAOYSA-N
Mol Weight 147.13 g/mol
Molecular Formula C5H9NO4
Exact Mass 147.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1voTBFpdre1
Name Butanoic acid, 4-nitro-, methyl ester
CAS Registry Number 13013-02-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H9NO4
InChI InChI=1S/C5H9NO4/c1-10-5(7)3-2-4-6(8)9/h2-4H2,1H3
InChIKey UBSPKGKFFQKZJB-UHFFFAOYSA-N
Literature Reference DOI 10.3987/COM-14-S(K)103
Molecular Weight 147.130 g/mol
SMILES C(CCC(=O)OC)[N+](=O)[O-]
SPLASH splash10-0a4i-9300000000-904bc07836195466b5be
Source of Spectrum H1-90-1425-6a
Synonyms Methyl 4-nitrobutanoate 4-Nitrobutanoic acid methyl ester 4-Nitrobutyric acid methyl ester Butyric acid, 4-nitro-, methyl ester Methyl 4-nitrobutanonate Methyl 4-nitrobutyrate BRN 1766154 EINECS 235-866-0 NSC 126459
Wiley ID 1755497