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Heptanoic acid, 6-nitro-3-oxo-, methyl ester
SpectraBase Compound ID 5zoN7mKNcmJ
InChI InChI=1S/C8H13NO5/c1-6(9(12)13)3-4-7(10)5-8(11)14-2/h6H,3-5H2,1-2H3
InChIKey RNHMHKNAEYAEEN-UHFFFAOYSA-N
Mol Weight 203.19 g/mol
Molecular Formula C8H13NO5
Exact Mass 203.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8lYvXbMgbs
Name Heptanoic acid, 6-nitro-3-oxo-, methyl ester
CAS Registry Number 80213-47-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO5
InChI InChI=1S/C8H13NO5/c1-6(9(12)13)3-4-7(10)5-8(11)14-2/h6H,3-5H2,1-2H3
InChIKey RNHMHKNAEYAEEN-UHFFFAOYSA-N
Molecular Weight 203.194 g/mol
SMILES C(N(=O)=O)(CCC(CC(=O)OC)=O)C
SPLASH splash10-0pc3-9500000000-b6a229f8f429a519d779
Source of Spectrum H-64-1862-0
Synonyms Methyl 6-nitro-3-oxoheptanoate Methylester of 6-nitro-3-oxo-heptanoic acid
Wiley ID 1200565