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5-fluoro ADB-5'Br-PINACA
SpectraBase Compound ID CeSQNLd4gWE
InChI InChI=1S/C19H26BrFN4O2/c1-19(2,3)16(17(22)26)23-18(27)15-13-11-12(20)7-8-14(13)25(24-15)10-6-4-5-9-21/h7-8,11,16H,4-6,9-10H2,1-3H3,(H2,22,26)(H,23,27)/t16-/m1/s1
InChIKey NFPAJGRKUHSQLR-MRXNPFEDSA-N
Mol Weight 441.35 g/mol
Molecular Formula C19H26BrFN4O2
Exact Mass 440.122317 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1TNivlC2X4
Name 5-fluoro ADB-5'Br-PINACA
Catalog Number 37963
Lot Number 665254
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.122317254 u
Formula C19H26BrFN4O2
InChI InChI=1S/C19H26BrFN4O2/c1-19(2,3)16(17(22)26)23-18(27)15-13-11-12(20)7-8-14(13)25(24-15)10-6-4-5-9-21/h7-8,11,16H,4-6,9-10H2,1-3H3,(H2,22,26)(H,23,27)/t16-/m1/s1
InChIKey NFPAJGRKUHSQLR-MRXNPFEDSA-N
Molecular Weight 441.345 g/mol
Purity >=98%
Quality 986
SMILES N(C(=O)C1=NN(CCCCCF)C2=C1C=C(Br)C=C2)[C@](C(N)=O)(C(C)(C)C)[H]
SPLASH splash10-03dj-3259000000-f85613f0eab95412d0f3
Source of Spectrum CAY-2024-2272-0
Synonyms ADMB-5-fluoro-P-5Br-INACA (S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-bromo-1-(5-fluoropentyl)-1H-indazole-3-carboxamide (2S)-2-{[5-bromo-1-(5-fluoropentyl)-1H-indazol-3-yl]formamido}-3,3-dimethylbutanamide
Wiley ID 1890457