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2,5-bis(Benzopyran-4'-one-2'-carbamoyl)-3-hydroxy-1,6-diphenylhexane
SpectraBase Compound ID IpYbZTg4Fmx
InChI InChI=1S/C38H32N2O7/c41-30-22-35(46-33-17-9-7-15-27(30)33)37(44)39-26(19-24-11-3-1-4-12-24)21-32(43)29(20-25-13-5-2-6-14-25)40-38(45)36-23-31(42)28-16-8-10-18-34(28)47-36/h1-18,22-23,26,29,32,43H,19-21H2,(H,39,44)(H,40,45)
InChIKey JZMRXCPZVBPLRX-UHFFFAOYSA-N
Mol Weight 628.7 g/mol
Molecular Formula C38H32N2O7
Exact Mass 628.220951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHOeoUmmpBd
Name 2,5-bis(Benzopyran-4'-one-2'-carbamoyl)-3-hydroxy-1,6-diphenylhexane
Alternate Name(s) N-(1-benzyl-2-hydroxy-4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}-5-phenylpentyl)-4-oxo-4H-chromene-2-carboxamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H32N2O7
InChI InChI=1S/C38H32N2O7/c41-30-22-35(46-33-17-9-7-15-27(30)33)37(44)39-26(19-24-11-3-1-4-12-24)21-32(43)29(20-25-13-5-2-6-14-25)40-38(45)36-23-31(42)28-16-8-10-18-34(28)47-36/h1-18,22-23,26,29,32,43H,19-21H2,(H,39,44)(H,40,45)
InChIKey JZMRXCPZVBPLRX-UHFFFAOYSA-N
Molecular Weight 628.681 g/mol
SMILES N(C(C1=CC(=O)c2c(O1)cccc2)=O)C(C(CC(NC(C1=CC(=O)c2c(O1)cccc2)=O)Cc1ccccc1)O)Cc1ccccc1
SPLASH splash10-0006-9000000000-f4c0a03c610ee53073c5
Source of Spectrum G2-34-2582-2
Wiley ID 1582468