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Benzeneheptanoic acid, .gamma.-nitro-.zeta.-oxo-, ethyl ester
SpectraBase Compound ID EYBxCoL3YNb
InChI InChI=1S/C15H19NO5/c1-2-21-15(18)11-9-13(16(19)20)8-10-14(17)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKey XSNQGVIOKRQEKO-UHFFFAOYSA-N
Mol Weight 293.32 g/mol
Molecular Formula C15H19NO5
Exact Mass 293.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Gqv0ZnsAjP
Name Benzeneheptanoic acid, .gamma.-nitro-.zeta.-oxo-, ethyl ester
Alternate Name(s) Ethyl 4-nitro-7-oxo-7-phenylheptanoate
CAS Registry Number 78551-16-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO5
InChI InChI=1S/C15H19NO5/c1-2-21-15(18)11-9-13(16(19)20)8-10-14(17)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKey XSNQGVIOKRQEKO-UHFFFAOYSA-N
Molecular Weight 293.319 g/mol
SMILES C(N(=O)=O)(CCC(=O)c1ccccc1)CCC(=O)OCC
SPLASH splash10-0a4i-4930000000-9d3ec347daae5f2c2e36
Source of Spectrum H-67-280-0
Wiley ID 1296266