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4-[(Carbamoyl)ethoxycarbonyl]methyl-3-acetyl-6-nitrochroman-2-one
SpectraBase Compound ID I86SlzhcAmB
InChI InChI=1S/C16H16N2O8/c1-3-25-15(21)13(14(17)20)12-9-6-8(18(23)24)4-5-10(9)26-16(22)11(12)7(2)19/h4-6,11-13H,3H2,1-2H3,(H2,17,20)
InChIKey OPXWSJCLUYMFDA-UHFFFAOYSA-N
Mol Weight 364.31 g/mol
Molecular Formula C16H16N2O8
Exact Mass 364.090665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oVtyRCZiIy
Name 4-[(Carbamoyl)ethoxycarbonyl]methyl-3-acetyl-6-nitrochroman-2-one
Alternate Name(s) Ethyl 2-(3-acetyl-6-nitro-2-oxo-3,4-dihydro-2H-chromen-4-yl)-3-amino-3-oxopropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O8
InChI InChI=1S/C16H16N2O8/c1-3-25-15(21)13(14(17)20)12-9-6-8(18(23)24)4-5-10(9)26-16(22)11(12)7(2)19/h4-6,11-13H,3H2,1-2H3,(H2,17,20)
InChIKey OPXWSJCLUYMFDA-UHFFFAOYSA-N
Molecular Weight 364.310 g/mol
SMILES NC(C(C1C(C(Oc2c1cc(N(=O)=O)cc2)=O)C(=O)C)C(=O)OCC)=O
SPLASH splash10-00di-0091000000-32879262ecd0d703aeb6
Source of Spectrum D8-328-58-10
Wiley ID 1515567