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2-AMINO-3-CYANO-5,6,7,8-TETRAHYDRO-7,7-DIMETHYL-4-(4'-NITROPHENYL)-5-OXO-4H-BENZOPYRAN
SpectraBase Compound ID 4Jmty02WLrY
InChI InChI=1S/C18H17N3O4/c1-18(2)7-13(22)16-14(8-18)25-17(20)12(9-19)15(16)10-3-5-11(6-4-10)21(23)24/h3-6,15H,7-8,20H2,1-2H3
InChIKey NAXHNBPBWXDTRM-UHFFFAOYSA-N
Mol Weight 339.35 g/mol
Molecular Formula C18H17N3O4
Exact Mass 339.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2lM7IvVDW9
Name 2-Amino-5-keto-7,7-dimethyl-4-(4-nitrophenyl)-6,8-dihydro-4H-chromene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O4
InChI InChI=1S/C18H17N3O4/c1-18(2)7-13(22)16-14(8-18)25-17(20)12(9-19)15(16)10-3-5-11(6-4-10)21(23)24/h3-6,15H,7-8,20H2,1-2H3
InChIKey NAXHNBPBWXDTRM-UHFFFAOYSA-N
Molecular Weight 339.351 g/mol
SMILES NC1=C(C(C2=C(CC(CC2=O)(C)C)O1)c1ccc(N(=O)=O)cc1)C#N
SPLASH splash10-014r-0196000000-c3ff33362a90ff85c300
Source of Spectrum AJ-41-514-4
Synonyms 2-Amino-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile 2-Amino-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile 2-Amino-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile 2-Azanyl-7,7-dimethyl-4-(4-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile
Wiley ID 1567540