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4-[5-(4-Fluorophenyl)-3-isopropylisoxazol-4-yl]-pyridin-2-yl-pentylamine
SpectraBase Compound ID 93zM5ythaGk
InChI InChI=1S/C22H26FN3O/c1-4-5-6-12-24-19-14-17(11-13-25-19)20-21(15(2)3)26-27-22(20)16-7-9-18(23)10-8-16/h7-11,13-15H,4-6,12H2,1-3H3,(H,24,25)
InChIKey ULFABAFDFOHCJF-UHFFFAOYSA-N
Mol Weight 367.47 g/mol
Molecular Formula C22H26FN3O
Exact Mass 367.205991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xRwecpGCG
Name 4-[5-(4-Fluorophenyl)-3-isopropylisoxazol-4-yl]-pyridin-2-yl-pentylamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26FN3O
InChI InChI=1S/C22H26FN3O/c1-4-5-6-12-24-19-14-17(11-13-25-19)20-21(15(2)3)26-27-22(20)16-7-9-18(23)10-8-16/h7-11,13-15H,4-6,12H2,1-3H3,(H,24,25)
InChIKey ULFABAFDFOHCJF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.200500025
Molecular Weight 367.468 g/mol
SMILES N(c1nccc(-c2c(onc2C(C)C)-c2ccc(F)cc2)c1)CCCCC
SPLASH splash10-022a-1249000000-edad2cc3a00cfc59ce87
Source of Spectrum CMC-1-205-11b
Synonyms 4-(5-(4-fluorophenyl)-3-isopropylisoxazol-4-yl)-N-pentylpyridin-2-amine
Wiley ID 1771442