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ADB-FUBINAATA

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

ADB-FUBINAATA
SpectraBase Compound ID 4FAnKQLJAwl
InChI InChI=1S/C22H25FN4O2/c1-22(2,3)20(21(24)29)25-19(28)12-17-16-6-4-5-7-18(16)27(26-17)13-14-8-10-15(23)11-9-14/h4-11,20H,12-13H2,1-3H3,(H2,24,29)(H,25,28)/t20-/m1/s1
InChIKey MULIMWKIYDFHAW-HXUWFJFHSA-N
Mol Weight 396.47 g/mol
Molecular Formula C22H25FN4O2
Exact Mass 396.196154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9z0Hg89KXRA
Name ADB-FUBINAATA
Catalog Number 36853
Lot Number 656928
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25FN4O2
InChI InChI=1S/C22H25FN4O2/c1-22(2,3)20(21(24)29)25-19(28)12-17-16-6-4-5-7-18(16)27(26-17)13-14-8-10-15(23)11-9-14/h4-11,20H,12-13H2,1-3H3,(H2,24,29)(H,25,28)/t20-/m1/s1
InChIKey MULIMWKIYDFHAW-HXUWFJFHSA-N
Molecular Weight 396.466 g/mol
Purity >=95%
Quality 1000
SMILES N(C(CC1=NN(CC2=CC=C(F)C=C2)C2=C1C=CC=C2)=O)[C@](C(N)=O)(C(C)(C)C)[H]
SPLASH splash10-0a4r-4953000000-79601fe08b41831c8c7d
Source of Spectrum CAY-2024-2302-0
Synonyms (S)-2-(2-(1-(4-fluorobenzyl)-1H-indazol-3-yl)acetamido)-3,3-dimethylbutanamide (2S)-2-(2-{1-[(4-fluorophenyl)methyl]-1H-indazol-3-yl}acetamido)-3,3-dimethylbutanamide
Wiley ID 1890484