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Heptanoic acid, 6-nitro-3-oxo-2-(1-oxopropyl)-, methyl ester
SpectraBase Compound ID A7S2UJeOQG4
InChI InChI=1S/C11H17NO6/c1-4-8(13)10(11(15)18-3)9(14)6-5-7(2)12(16)17/h7,10H,4-6H2,1-3H3
InChIKey YZNXBWHHAAQXGD-UHFFFAOYSA-N
Mol Weight 259.26 g/mol
Molecular Formula C11H17NO6
Exact Mass 259.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GG6jboAoe3S
Name 6-Nitro-3-oxo-2-propionyl-heptanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO6
InChI InChI=1S/C11H17NO6/c1-4-8(13)10(11(15)18-3)9(14)6-5-7(2)12(16)17/h7,10H,4-6H2,1-3H3
InChIKey YZNXBWHHAAQXGD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19810640619
Molecular Weight 259.258 g/mol
SMILES C(C(C(CCC(C)[N+](=O)[O-])=O)C(=O)CC)(=O)OC
SPLASH splash10-0a59-4910000000-21b49bcb71e14ab89f92
Source of Spectrum H-64-1863-30
Synonyms Methyl 6-nitro-3-oxo-2-propionylheptanoate
Wiley ID 1797596