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(E)-3-(8-CHLORO-2-VINYL-2,3-DIHYDRO-1H-1,5-BENZODIAZEPIN-4-YL)-4-HYDROXY-6-METHYL-2H-PYRAN-2-ONE
SpectraBase Compound ID IK4QAtYWdsM
InChI InChI=1S/C23H19ClN2O3/c1-14-11-21(27)22(23(28)29-14)20-13-17(9-7-15-5-3-2-4-6-15)25-19-12-16(24)8-10-18(19)26-20/h2-12,17,25,27H,13H2,1H3/b9-7+
InChIKey PDQOMUVJJYGERK-VQHVLOKHSA-N
Mol Weight 406.87 g/mol
Molecular Formula C23H19ClN2O3
Exact Mass 406.10842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZHU5d4qtk
Name 4-Hydroxy-6-methyl-3-[8'-chloro-2'-styryl-2',3'-dihydro-1H-(1,5)-benzodiazepin-4'-yl]-2H-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19ClN2O3
InChI InChI=1S/C23H19ClN2O3/c1-14-11-21(27)22(23(28)29-14)20-13-17(9-7-15-5-3-2-4-6-15)25-19-12-16(24)8-10-18(19)26-20/h2-12,17,25,27H,13H2,1H3/b9-7+
InChIKey PDQOMUVJJYGERK-VQHVLOKHSA-N
Molecular Weight 406.869 g/mol
SMILES OC=1C=C(OC(C1C=1CC(Nc2c(N1)ccc(c2)Cl)\C=C\c1ccccc1)=O)C
SPLASH splash10-0fvu-9820100000-f0005dce803c93a13a6f
Source of Spectrum AJ-41-591-6
Synonyms 3-{8-chloro-2-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepin-4-yl}-4-hydroxy-6-methyl-2H-pyran-2-one
Wiley ID 1567556