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3,3-Dimethyl-1-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-4H-isoquinoline

View entire compound with spectra: 1 MS (GC)

3,3-Dimethyl-1-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-4H-isoquinoline
SpectraBase Compound ID B1Rno1Z3AHp
InChI InChI=1S/C21H18F3N3OS/c1-20(2)11-13-6-3-4-7-14(13)16(27-20)12-28-19-25-15(17-8-5-9-29-17)10-18(26-19)21(22,23)24/h3-10H,11-12H2,1-2H3
InChIKey VXYYUZLMMNHRMQ-UHFFFAOYSA-N
Mol Weight 417.45 g/mol
Molecular Formula C21H18F3N3OS
Exact Mass 417.112268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FjDRFJRCdT
Name 3,3-Dimethyl-1-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-4H-isoquinoline
Alternate Name(s) 3,3-Dimethyl-1-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]oxymethyl]-4H-isoquinoline 3,3-Dimethyl-1-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-4H-isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18F3N3OS
InChI InChI=1S/C21H18F3N3OS/c1-20(2)11-13-6-3-4-7-14(13)16(27-20)12-28-19-25-15(17-8-5-9-29-17)10-18(26-19)21(22,23)24/h3-10H,11-12H2,1-2H3
InChIKey VXYYUZLMMNHRMQ-UHFFFAOYSA-N
Molecular Weight 417.450 g/mol
SMILES c1cc2C(=NC(Cc2cc1)(C)C)COc1nc(C(F)(F)F)cc(n1)-c1sccc1
SPLASH splash10-00di-1900000000-8d8de6b5897a1263ad00
Wiley ID 1442907