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1-(5-Amino-9-hydroxy-4-(4-methoxyphenyl)-6-phenyl-4,6-dihydrochromeno[2,3-e][1,2,4]triazepin-2-yl)ethanone
SpectraBase Compound ID JfcTUORULFa
InChI InChI=1S/C26H22N4O4/c1-15(31)25-28-26-23(24(27)30(29-25)17-8-11-19(33-2)12-9-17)22(16-6-4-3-5-7-16)20-13-10-18(32)14-21(20)34-26/h3-14,22,32H,27H2,1-2H3
InChIKey AXTHKLANRAXXFA-UHFFFAOYSA-N
Mol Weight 454.49 g/mol
Molecular Formula C26H22N4O4
Exact Mass 454.164105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3o5kJ4jzM7D
Name 1-(5-Amino-9-hydroxy-4-(4-methoxyphenyl)-6-phenyl-4,6-dihydrochromeno[2,3-e][1,2,4]triazepin-2-yl)ethanone
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22N4O4
InChI InChI=1S/C26H22N4O4/c1-15(31)25-28-26-23(24(27)30(29-25)17-8-11-19(33-2)12-9-17)22(16-6-4-3-5-7-16)20-13-10-18(32)14-21(20)34-26/h3-14,22,32H,27H2,1-2H3
InChIKey AXTHKLANRAXXFA-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2695
Molecular Weight 454.486 g/mol
SMILES NC1=C2C(Oc3cc(ccc3C2c2ccccc2)O)=NC(=NN1c1ccc(cc1)OC)C(C)=O
SPLASH splash10-0zi0-9082100000-124d02df79212055e7d6
Source of Spectrum Y-54-1222-5d
Wiley ID 1878106