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4-Carbamoylethoxycarbonylmethyl-6-nitrochroman-2-one
SpectraBase Compound ID CpcUySEvYrc
InChI InChI=1S/C14H14N2O7/c1-2-22-14(19)12(13(15)18)9-6-11(17)23-10-4-3-7(16(20)21)5-8(9)10/h3-5,9,12H,2,6H2,1H3,(H2,15,18)
InChIKey WPZQHPAGMWHCBT-UHFFFAOYSA-N
Mol Weight 322.27 g/mol
Molecular Formula C14H14N2O7
Exact Mass 322.080101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3v4QLg8k8q7
Name 4-Carbamoylethoxycarbonylmethyl-6-nitrochroman-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O7
InChI InChI=1S/C14H14N2O7/c1-2-22-14(19)12(13(15)18)9-6-11(17)23-10-4-3-7(16(20)21)5-8(9)10/h3-5,9,12H,2,6H2,1H3,(H2,15,18)
InChIKey WPZQHPAGMWHCBT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19953280110
Molecular Weight 322.273 g/mol
SMILES NC(C(C1c2cc(ccc2OC(C1)=O)[N+](=O)[O-])C(=O)OCC)=O
SPLASH splash10-0002-8190000000-ba94de0756026d02eaf5
Source of Spectrum APC-328-57-10a
Synonyms Ethyl 3-amino-2-(6-nitro-2-oxochroman-4-yl)-3-oxopropanoate
Wiley ID 1799190