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6-Amino-5-cyano-2-ethyl-4-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylic acid
SpectraBase Compound ID 4FYY9ZPi1C
InChI InChI=1S/C16H15N3O5/c1-3-12-13(15(20)21)16(2,11(8-17)14(18)24-12)9-5-4-6-10(7-9)19(22)23/h4-7H,3,18H2,1-2H3,(H,20,21)
InChIKey PLWSDTYHNFGDGP-UHFFFAOYSA-N
Mol Weight 329.31 g/mol
Molecular Formula C16H15N3O5
Exact Mass 329.101171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BqDsxxEcnAf
Name 6-Amino-5-cyano-2-ethyl-4-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylic acid
CAS Registry Number 350795-21-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O5
InChI InChI=1S/C16H15N3O5/c1-3-12-13(15(20)21)16(2,11(8-17)14(18)24-12)9-5-4-6-10(7-9)19(22)23/h4-7H,3,18H2,1-2H3,(H,20,21)
InChIKey PLWSDTYHNFGDGP-UHFFFAOYSA-N
Molecular Weight 329.312 g/mol
SMILES NC1=C(C(C(C(=O)O)=C(O1)CC)(c1cc(N(=O)=O)ccc1)C)C#N
SPLASH splash10-08fr-8988000000-89856cd94e31d0d43cb7
Source of Spectrum AD-0-2532-0
Synonyms 4H-Oxine-3-carboxylic acid, 6-amino-5-cyano-2-ethyl-4-methyl-4-(3-nitrophenyl)- 6-Amino-5-cyano-2-ethyl-4-methyl-4-(3-nitrophenyl)-3-pyrancarboxylic acid 6-Amino-5-cyano-2-ethyl-4-methyl-4-(3-nitrophenyl)pyran-3-carboxylic acid 6-Azanyl-5-cyano-2-ethyl-4-methyl-4-(3-nitrophenyl)pyran-3-carboxylic acid
Wiley ID 1430760