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2-[(3-Chlorophenyl)-(3-chlorophenylaminocarbonyl)-amino]-4H-3,1-benzoxazine-4-(4-methylphenyl)imine
SpectraBase Compound ID LJgPdRooync
InChI InChI=1S/C28H20Cl2N4O2/c1-18-12-14-21(15-13-18)31-26-24-10-2-3-11-25(24)33-28(36-26)34(23-9-5-7-20(30)17-23)27(35)32-22-8-4-6-19(29)16-22/h2-17H,1H3,(H,32,35)/b31-26-
InChIKey PXKVPQQATGSFFU-ZXPTYKNPSA-N
Mol Weight 515.4 g/mol
Molecular Formula C28H20Cl2N4O2
Exact Mass 514.096331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ycQ2G2KDM3
Name 2-[(3-Chlorophenyl)-(3-chlorophenylaminocarbonyl)-amino]-4H-3,1-benzoxazine-4-(4-methylphenyl)imine
CAS Registry Number 125701-53-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20Cl2N4O2
InChI InChI=1S/C28H20Cl2N4O2/c1-18-12-14-21(15-13-18)31-26-24-10-2-3-11-25(24)33-28(36-26)34(23-9-5-7-20(30)17-23)27(35)32-22-8-4-6-19(29)16-22/h2-17H,1H3,(H,32,35)/b31-26-
InChIKey PXKVPQQATGSFFU-ZXPTYKNPSA-N
Molecular Weight 515.400 g/mol
SMILES N(C(N(C=1O\C(=N/c2ccc(cc2)C)c2c(N1)cccc2)c1cc(Cl)ccc1)=O)c1cc(Cl)ccc1
SPLASH splash10-03dl-7439000000-0881bc36dd9f75acedaa
Source of Spectrum F-45-4277-11
Wiley ID 1401107