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1,3-bis(phenylmethyl)-9H-pyrimido[4,5-b]indole-2,4-dione
SpectraBase Compound ID KaewB1Gmt15
InChI InChI=1S/C24H19N3O2/c28-23-21-19-13-7-8-14-20(19)25-22(21)26(15-17-9-3-1-4-10-17)24(29)27(23)16-18-11-5-2-6-12-18/h1-14,25H,15-16H2
InChIKey BQFMEWWIUSUXTH-UHFFFAOYSA-N
Mol Weight 381.44 g/mol
Molecular Formula C24H19N3O2
Exact Mass 381.147727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcRbafVXlMO
Name 1,3-bis(phenylmethyl)-9H-pyrimido[4,5-b]indole-2,4-dione
Alternate Name(s) 1,3-Dibenzyl-9H-pyrimido[4,5-b]indole-2,4-dione 1,3-Dibenzyl-9H-pyrimid[4,5-b]indole-2,4-quinone
CAS Registry Number 115127-15-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H19N3O2
InChI InChI=1S/C24H19N3O2/c28-23-21-19-13-7-8-14-20(19)25-22(21)26(15-17-9-3-1-4-10-17)24(29)27(23)16-18-11-5-2-6-12-18/h1-14,25H,15-16H2
InChIKey BQFMEWWIUSUXTH-UHFFFAOYSA-N
Molecular Weight 381.435 g/mol
SMILES [nH]1c2ccccc2c2C(N(C(N(c12)Cc1ccccc1)=O)Cc1ccccc1)=O
SPLASH splash10-0006-9101000000-d4acb72b0000a76cc5d6
Source of Spectrum AH-119-101-4
Wiley ID 1360266