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6-Benzyloxy-5-nitromethyl-3-oxoheptanoic acid, methyl ester
SpectraBase Compound ID 1wGbY4QFapJ
InChI InChI=1S/C16H21NO6/c1-12(23-11-13-6-4-3-5-7-13)14(10-17(20)21)8-15(18)9-16(19)22-2/h3-7,12,14H,8-11H2,1-2H3
InChIKey AZKFDXKAIRBTBB-UHFFFAOYSA-N
Mol Weight 323.35 g/mol
Molecular Formula C16H21NO6
Exact Mass 323.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJABzSXojAa
Name 6-Benzyloxy-5-nitromethyl-3-oxoheptanoic acid, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO6
InChI InChI=1S/C16H21NO6/c1-12(23-11-13-6-4-3-5-7-13)14(10-17(20)21)8-15(18)9-16(19)22-2/h3-7,12,14H,8-11H2,1-2H3
InChIKey AZKFDXKAIRBTBB-UHFFFAOYSA-N
Molecular Weight 323.345 g/mol
SMILES CC(OCc1ccccc1)C(CN(=O)=O)CC(=O)CC(=O)OC
SPLASH splash10-0006-9300000000-0f7fde34dbf02201144d
Synonyms 5-(nitromethyl)-3-oxo-6-phenylmethoxyheptanoic acid methyl ester 6-Benzoxy-3-keto-5-(nitromethyl)enanthic acid methyl ester Methyl 5-(nitromethyl)-3-oxidanylidene-6-phenylmethoxy-heptanoate Methyl 5-(nitromethyl)-3-oxo-6-phenylmethoxyheptanoate Methyl 6-benzyloxy-5-(nitromethyl)-3-oxo-heptanoate
Wiley ID 1482069