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2-Amino-5,7-dihydroxy-4-(4-nitrophenyl)-4H-chromene-3-carbonitrile
SpectraBase Compound ID 70KFsVxK972
InChI InChI=1S/C16H11N3O5/c17-7-11-14(8-1-3-9(4-2-8)19(22)23)15-12(21)5-10(20)6-13(15)24-16(11)18/h1-6,14,20-21H,18H2
InChIKey ATWCBXLYVXIEFJ-UHFFFAOYSA-N
Mol Weight 325.28 g/mol
Molecular Formula C16H11N3O5
Exact Mass 325.06987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8P9z7XDUfe7
Name 2-Amino-5,7-dihydroxy-4-(4-nitrophenyl)-4H-chromene-3-carbonitrile
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.069870461 u
Formula C16H11N3O5
InChI InChI=1S/C16H11N3O5/c17-7-11-14(8-1-3-9(4-2-8)19(22)23)15-12(21)5-10(20)6-13(15)24-16(11)18/h1-6,14,20-21H,18H2
InChIKey ATWCBXLYVXIEFJ-UHFFFAOYSA-N
Instrument Name Agilent Technology
Ionization Type EI
Literature Reference DOI 10.1002/bkcs.12526
Quality 182
SMILES NC=1OC2=C(C(=CC(=C2)O)O)C(C1C#N)C1=CC=C(C=C1)[N+](=O)[O-]
SPLASH splash10-0udi-1091000000-90865ec7855ca8a11360
Source of Spectrum QB-43-SM16-4e (DOI: 10.1002/bkcs.12526)
Wiley ID 1898106