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2-Phenyl-4H-pyrimido[2,1-a]isoquinolin-4-one
SpectraBase Compound ID 51wNZGBHDLh
InChI InChI=1S/C18H12N2O/c21-17-12-16(14-7-2-1-3-8-14)19-18-15-9-5-4-6-13(15)10-11-20(17)18/h1-12H
InChIKey RIUPSAUQQXISFL-UHFFFAOYSA-N
Mol Weight 272.31 g/mol
Molecular Formula C18H12N2O
Exact Mass 272.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzhnUiBNy2M
Name 2-Phenyl-4H-pyrimido[2,1-a]isoquinolin-4-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.094963013 u
Formula C18H12N2O
InChI InChI=1S/C18H12N2O/c21-17-12-16(14-7-2-1-3-8-14)19-18-15-9-5-4-6-13(15)10-11-20(17)18/h1-12H
InChIKey RIUPSAUQQXISFL-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801111
Molecular Weight 272.307 g/mol
Quality 83
Reported Formula C18H12N2O
SMILES C1(=CC=CC=C1)C=1N=C2N(C=CC3=C2C=CC=C3)C(C1)=O
SPLASH splash10-00dl-0090000000-dd77304a5df48d066a74
Source of Spectrum ACI-57-SM29-3oa (DOI: 10.1002/anie.201801111)
Wiley ID 1892998