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3-Acetyl-4-(2-imino-1-ethoxycarbonylpropyl)-6-nitrochroman-2-one
SpectraBase Compound ID Byb0uu6omB9
InChI InChI=1S/C17H18N2O7/c1-4-25-16(21)13(8(2)18)15-11-7-10(19(23)24)5-6-12(11)26-17(22)14(15)9(3)20/h5-7,13-15,18H,4H2,1-3H3
InChIKey SARLVHDABRJWFQ-UHFFFAOYSA-N
Mol Weight 362.34 g/mol
Molecular Formula C17H18N2O7
Exact Mass 362.111401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7eDnY2IOhqJ
Name 3-Acetyl-4-(2-imino-1-ethoxycarbonylpropyl)-6-nitrochroman-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O7
InChI InChI=1S/C17H18N2O7/c1-4-25-16(21)13(8(2)18)15-11-7-10(19(23)24)5-6-12(11)26-17(22)14(15)9(3)20/h5-7,13-15,18H,4H2,1-3H3
InChIKey SARLVHDABRJWFQ-UHFFFAOYSA-N
Molecular Weight 362.338 g/mol
SMILES N=C(C(C1c2cc(ccc2OC(C1C(=O)C)=O)[N+]([O-])=O)C(=O)OCC)C
SPLASH splash10-0229-0098000000-69b1ffc5247111e50ddf
Source of Spectrum APC-328-55-3b
Synonyms Ethyl 2-(3-acetyl-6-nitro-2-oxochroman-4-yl)-3-iminobutanoate
Wiley ID 1799191