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Methyl 4-phenyl-1-(4-(trifluoromethyl)phenyl)isoquinoline-3-carboxylate
SpectraBase Compound ID IuoCr5LcW4T
InChI InChI=1S/C24H16F3NO2/c1-30-23(29)22-20(15-7-3-2-4-8-15)18-9-5-6-10-19(18)21(28-22)16-11-13-17(14-12-16)24(25,26)27/h2-14H,1H3
InChIKey QDOCJUTUMOZTOK-UHFFFAOYSA-N
Mol Weight 407.39 g/mol
Molecular Formula C24H16F3NO2
Exact Mass 407.113313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AY4qINQlqNO
Name Methyl 4-phenyl-1-(4-(trifluoromethyl)phenyl)isoquinoline-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16F3NO2
InChI InChI=1S/C24H16F3NO2/c1-30-23(29)22-20(15-7-3-2-4-8-15)18-9-5-6-10-19(18)21(28-22)16-11-13-17(14-12-16)24(25,26)27/h2-14H,1H3
InChIKey QDOCJUTUMOZTOK-UHFFFAOYSA-N
Molecular Weight 407.392 g/mol
SMILES c1(nc(c(c2ccccc12)-c1ccccc1)C(=O)OC)-c1ccc(cc1)C(F)(F)F
SPLASH splash10-0002-0019200000-862a92d30cf235a1142a
Source of Spectrum OCF-3-516/SM12-3j
Wiley ID 1804804