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ADB-5'Br-PINACA
SpectraBase Compound ID BIwWYItsAEk
InChI InChI=1S/C19H27BrN4O2/c1-5-6-7-10-24-14-9-8-12(20)11-13(14)15(23-24)18(26)22-16(17(21)25)19(2,3)4/h8-9,11,16H,5-7,10H2,1-4H3,(H2,21,25)(H,22,26)/t16-/m1/s1
InChIKey OUVRBTCXLMBRLT-MRXNPFEDSA-N
Mol Weight 423.36 g/mol
Molecular Formula C19H27BrN4O2
Exact Mass 422.131739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ecILu81kz5
Name ADB-5'Br-PINACA
Catalog Number 37758
Lot Number 660282
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.131739123 u
Formula C19H27BrN4O2
InChI InChI=1S/C19H27BrN4O2/c1-5-6-7-10-24-14-9-8-12(20)11-13(14)15(23-24)18(26)22-16(17(21)25)19(2,3)4/h8-9,11,16H,5-7,10H2,1-4H3,(H2,21,25)(H,22,26)/t16-/m1/s1
InChIKey OUVRBTCXLMBRLT-MRXNPFEDSA-N
Molecular Weight 423.355 g/mol
Purity >=98%
Quality 986
SMILES N(C(C1=NN(C2=CC=C(C=C12)Br)CCCCC)=O)[C@](C(N)=O)(C(C)(C)C)[H]
SPLASH splash10-002g-1293000000-e8782621349f55773bb1
Source of Spectrum CAY-2024-2187-0
Synonyms ADB-P-5'Br-INACA (S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-bromo-1-pentyl-1H-indazole-3-carboxamide (2S)-2-[(5-bromo-1-pentyl-1H-indazol-3-yl)formamido]-3,3-dimethylbutanamide
Wiley ID 1890380