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1-(4-Methylphenyl)-5-[3-(4-methylphenyl)-4,5-diphenyl-1H-pyrrol-2-yl]-3,4-diphenyl-6-oxa-2-azabicyclo[3.1.0]hex-3-ene
SpectraBase Compound ID Dq5ikcwlvDz
InChI InChI=1S/C46H36N2O/c1-31-23-27-34(28-24-31)40-39(33-15-7-3-8-16-33)42(36-19-11-5-12-20-36)47-44(40)45-41(35-17-9-4-10-18-35)43(37-21-13-6-14-22-37)48-46(45,49-45)38-29-25-32(2)26-30-38/h3-30,47-48H,1-2H3
InChIKey SFOXDOBUPHHMOR-UHFFFAOYSA-N
Mol Weight 632.8 g/mol
Molecular Formula C46H36N2O
Exact Mass 632.282764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOtzvzjW0Zq
Name 1-(4-Methylphenyl)-5-[3-(4-methylphenyl)-4,5-diphenyl-1H-pyrrol-2-yl]-3,4-diphenyl-6-oxa-2-azabicyclo[3.1.0]hex-3-ene
Alternate Name(s) 1-p-Tolyl-3,4-diphenyl-5-(3-p-tolyl-4,5-diphenylpyrrol-2-yl)-6-oxa-2-azabicyclo[3.1.0]hex-3-ene 5-(4-Methylphenyl)-1-[3-(4-methylphenyl)-4,5-diphenyl-1H-pyrrol-2-yl]-2,3-diphenyl-6-oxa-4-azabicyclo[3.1.0]hex-2-ene
CAS Registry Number 65241-96-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H36N2O
InChI InChI=1S/C46H36N2O/c1-31-23-27-34(28-24-31)40-39(33-15-7-3-8-16-33)42(36-19-11-5-12-20-36)47-44(40)45-41(35-17-9-4-10-18-35)43(37-21-13-6-14-22-37)48-46(45,49-45)38-29-25-32(2)26-30-38/h3-30,47-48H,1-2H3
InChIKey SFOXDOBUPHHMOR-UHFFFAOYSA-N
Molecular Weight 632.807 g/mol
SMILES [nH]1c(C23C(=C(c4ccccc4)NC3(c3ccc(C)cc3)O2)c2ccccc2)c(-c2ccc(C)cc2)c(-c2ccccc2)c1-c1ccccc1
SPLASH splash10-001i-0000069000-0fe39df6c0d1906f152e
Source of Spectrum Y-44-798-2
Wiley ID 1412227