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6-(4-Fluorobenzyl)-9-methylcyclohepta[b]pyrimido[5,4-d]pyrrole-8(6H),10(9H)-dione

View entire compound with spectra: 1 MS (GC)

6-(4-Fluorobenzyl)-9-methylcyclohepta[b]pyrimido[5,4-d]pyrrole-8(6H),10(9H)-dione
SpectraBase Compound ID 9obsL2YSBso
InChI InChI=1S/C19H14FN3O2/c1-22-18(24)16-14-5-3-2-4-6-15(14)23(17(16)21-19(22)25)11-12-7-9-13(20)10-8-12/h2-10H,11H2,1H3
InChIKey DIDVSZINLACZMH-UHFFFAOYSA-N
Mol Weight 335.34 g/mol
Molecular Formula C19H14FN3O2
Exact Mass 335.107005 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nPxGi5O5Ex
Name 6-(4-Fluorobenzyl)-9-methylcyclohepta[b]pyrimido[5,4-d]pyrrole-8(6H),10(9H)-dione
Alternate Name(s) 10-[(4-fluorophenyl)methyl]-3-methylcyclohepta[1,2]pyrrolo[2,4-b]pyrimidine-2,4-dione 10-[(4-fluorophenyl)methyl]-3-methyl-cyclohepta[1,2]pyrrolo[2,4-b]pyrimidine-2,4-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14FN3O2
InChI InChI=1S/C19H14FN3O2/c1-22-18(24)16-14-5-3-2-4-6-15(14)23(17(16)21-19(22)25)11-12-7-9-13(20)10-8-12/h2-10H,11H2,1H3
InChIKey DIDVSZINLACZMH-UHFFFAOYSA-N
Molecular Weight 335.338 g/mol
SMILES C=12C(=NC(N(C2=O)C)=O)N(Cc2ccc(cc2)F)C=2C1C=CC=CC2
SPLASH splash10-0a4r-0906000000-d3ab74682cf1effbc3f8
Source of Spectrum SO-0-652-3
Wiley ID 877696