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1-(5-Amino-4-(4-chlorophenyl)-9-hydroxy-6-phenyl-4,6-dihydrochromeno[2,3-e][1,2,4]triazepin-2-yl)ethanone
SpectraBase Compound ID Hj6YJSayskZ
InChI InChI=1S/C25H19ClN4O3/c1-14(31)24-28-25-22(23(27)30(29-24)17-9-7-16(26)8-10-17)21(15-5-3-2-4-6-15)19-12-11-18(32)13-20(19)33-25/h2-13,21,32H,27H2,1H3
InChIKey IYANKNRKRHGVCO-UHFFFAOYSA-N
Mol Weight 458.91 g/mol
Molecular Formula C25H19ClN4O3
Exact Mass 458.114568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jRTSImrZWy
Name 1-(5-Amino-4-(4-chlorophenyl)-9-hydroxy-6-phenyl-4,6-dihydrochromeno[2,3-e][1,2,4]triazepin-2-yl)ethanone
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19ClN4O3
InChI InChI=1S/C25H19ClN4O3/c1-14(31)24-28-25-22(23(27)30(29-24)17-9-7-16(26)8-10-17)21(15-5-3-2-4-6-15)19-12-11-18(32)13-20(19)33-25/h2-13,21,32H,27H2,1H3
InChIKey IYANKNRKRHGVCO-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2695
Molecular Weight 458.905 g/mol
SMILES NC1=C2C(Oc3cc(ccc3C2c2ccccc2)O)=NC(=NN1c1ccc(cc1)Cl)C(C)=O
SPLASH splash10-0udr-4095200000-b59ab0159458da710d5a
Source of Spectrum Y-54-1222-5e
Wiley ID 1878107