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5-Fluoro-3,5-AB-PFUPPYCA
SpectraBase Compound ID HpXerxUWY3O
InChI InChI=1S/C20H26F2N4O2/c1-13(2)18(19(23)27)24-20(28)17-12-16(14-6-8-15(22)9-7-14)25-26(17)11-5-3-4-10-21/h6-9,12-13,18H,3-5,10-11H2,1-2H3,(H2,23,27)(H,24,28)/t18-/m0/s1
InChIKey JPKXVUNTSWGYKJ-SFHVURJKSA-N
Mol Weight 392.45 g/mol
Molecular Formula C20H26F2N4O2
Exact Mass 392.202382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DREhzANBFKV
Name 5-Fluoro-3,5-AB-PFUPPYCA
Alternate Name(s) (S)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(5-fluoropentyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide 5F-3,5-AB-PFUPPYCA
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26F2N4O2
InChI InChI=1S/C20H26F2N4O2/c1-13(2)18(19(23)27)24-20(28)17-12-16(14-6-8-15(22)9-7-14)25-26(17)11-5-3-4-10-21/h6-9,12-13,18H,3-5,10-11H2,1-2H3,(H2,23,27)(H,24,28)/t18-/m0/s1
InChIKey JPKXVUNTSWGYKJ-SFHVURJKSA-N
Molecular Weight 392.451 g/mol
SMILES N(C(c1[n](nc(-c2ccc(cc2)F)c1)CCCCCF)=O)[C@](C(N)=O)(C(C)C)[H]
SPLASH splash10-002k-5792000000-6fb958e335760a984eee
Source of Spectrum SWG-33-4367-0
Wiley ID 1810980