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2,4-Di(4-Methylbenzyl)-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidine
SpectraBase Compound ID LBwfPZ3jjjM
InChI InChI=1S/C29H28N2/c1-20-10-14-22(15-11-20)18-27-26-9-5-7-24-6-3-4-8-25(24)29(26)31-28(30-27)19-23-16-12-21(2)13-17-23/h3-4,6,8,10-17H,5,7,9,18-19H2,1-2H3
InChIKey RXFQSUDRFUUFNN-UHFFFAOYSA-N
Mol Weight 404.56 g/mol
Molecular Formula C29H28N2
Exact Mass 404.225249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11kxXkH2EGy
Name 2,4-Di(4-Methylbenzyl)-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidine
Alternate Name(s) 2,4-bis(4-methylbenzyl)-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28N2
InChI InChI=1S/C29H28N2/c1-20-10-14-22(15-11-20)18-27-26-9-5-7-24-6-3-4-8-25(24)29(26)31-28(30-27)19-23-16-12-21(2)13-17-23/h3-4,6,8,10-17H,5,7,9,18-19H2,1-2H3
InChIKey RXFQSUDRFUUFNN-UHFFFAOYSA-N
Molecular Weight 404.557 g/mol
SMILES c1(nc-2c(c(n1)Cc1ccc(cc1)C)CCCc1c2cccc1)Cc1ccc(cc1)C
SPLASH splash10-0udi-0012900000-435d76916f8aba764a24
Source of Spectrum Y1-44-2150-4
Wiley ID 1621398