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6-(4-Methylbenzyl)-9-methylcyclohepta[b]pyrimido[5,4-d]pyrrole-8(6H),10(9H)-dione
SpectraBase Compound ID JWrY5Uc5yHg
InChI InChI=1S/C20H17N3O2/c1-13-8-10-14(11-9-13)12-23-16-7-5-3-4-6-15(16)17-18(23)21-20(25)22(2)19(17)24/h3-11H,12H2,1-2H3
InChIKey NHVNTKPWPOGVGG-UHFFFAOYSA-N
Mol Weight 331.38 g/mol
Molecular Formula C20H17N3O2
Exact Mass 331.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dzqxKOFsj5
Name 6-(4-Methylbenzyl)-9-methylcyclohepta[b]pyrimido[5,4-d]pyrrole-8(6H),10(9H)-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N3O2
InChI InChI=1S/C20H17N3O2/c1-13-8-10-14(11-9-13)12-23-16-7-5-3-4-6-15(16)17-18(23)21-20(25)22(2)19(17)24/h3-11H,12H2,1-2H3
InChIKey NHVNTKPWPOGVGG-UHFFFAOYSA-N
Molecular Weight 331.375 g/mol
SMILES C=12C(=NC(N(C2=O)C)=O)N(Cc2ccc(cc2)C)C=2C1C=CC=CC2
SPLASH splash10-0a4i-0900000000-e6973840f6e4d6373663
Source of Spectrum SO-0-652-3
Wiley ID 877697