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3-[4'-Phenyoxazolin-2'-yl]-1-(naphthalen-1"-yl)isoquinoline
SpectraBase Compound ID 2CJgkyH3P7g
InChI InChI=1S/C28H20N2O/c1-2-10-20(11-3-1)26-18-31-28(30-26)25-17-21-12-5-7-15-23(21)27(29-25)24-16-8-13-19-9-4-6-14-22(19)24/h1-17,26H,18H2/t26-/m1/s1
InChIKey NOPNPYQCKCLCLA-AREMUKBSSA-N
Mol Weight 400.48 g/mol
Molecular Formula C28H20N2O
Exact Mass 400.157563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20koJYq3Qhy
Name 3-[4'-Phenyoxazolin-2'-yl]-1-(naphthalen-1"-yl)isoquinoline
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Formula C28H20N2O
InChI InChI=1S/C28H20N2O/c1-2-10-20(11-3-1)26-18-31-28(30-26)25-17-21-12-5-7-15-23(21)27(29-25)24-16-8-13-19-9-4-6-14-22(19)24/h1-17,26H,18H2/t26-/m1/s1
InChIKey NOPNPYQCKCLCLA-AREMUKBSSA-N
Molecular Weight 400.481 g/mol
SMILES c1(nc(C2=N[C@@](c3ccccc3)(CO2)[H])cc2c1cccc2)-c1c2c(cccc2)ccc1
SPLASH splash10-00dj-0079000000-96d73fc6ad5b4819334b
Source of Spectrum Y-38-1270-5
Synonyms 3-[4'-Phenyloxazolin-2'-yl]-1-(naphthalen-1''-yl)isoquinoline (4S)-2-[1-(1-naphthalenyl)-3-isoquinolinyl]-4-phenyl-4,5-dihydrooxazole (4S)-2-[1-(1-naphthyl)-3-isoquinolyl]-4-phenyl-4,5-dihydrooxazole (4S)-2-(1-naphthalen-1-ylisoquinolin-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
Wiley ID 848615