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3-Cyclopropyl-2-(4'-fluorobiphenyl-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
SpectraBase Compound ID BQYZz0FJ4K9
InChI InChI=1S/C21H22FN3O/c1-15(16-2-3-16)21(26,12-25-14-23-13-24-25)19-8-4-17(5-9-19)18-6-10-20(22)11-7-18/h4-11,13-16,26H,2-3,12H2,1H3
InChIKey JRHYKQVEARTBSE-UHFFFAOYSA-N
Mol Weight 351.43 g/mol
Molecular Formula C21H22FN3O
Exact Mass 351.174691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlNTAMyCGoY
Name 3-Cyclopropyl-2-(4'-fluorobiphenyl-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Alternate Name(s) 3-Cyclopropyl-2-(4'-fluoro-[1,1'-biphenyl]-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22FN3O
InChI InChI=1S/C21H22FN3O/c1-15(16-2-3-16)21(26,12-25-14-23-13-24-25)19-8-4-17(5-9-19)18-6-10-20(22)11-7-18/h4-11,13-16,26H,2-3,12H2,1H3
InChIKey JRHYKQVEARTBSE-UHFFFAOYSA-N
Molecular Weight 351.425 g/mol
SMILES OC(C[n]1ncnc1)(C(C1CC1)C)c1ccc(cc1)-c1ccc(cc1)F
SPLASH splash10-001i-3790000000-a8af7207f5e07cd0e6f3
Source of Spectrum F-70-285-14
Wiley ID 1742460