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MDMB-5'Br-4en-PINACA
SpectraBase Compound ID 3jBXYq8HdzV
InChI InChI=1S/C20H26BrN3O3/c1-6-7-8-11-24-15-10-9-13(21)12-14(15)16(23-24)18(25)22-17(19(26)27-5)20(2,3)4/h6,9-10,12,17H,1,7-8,11H2,2-5H3,(H,22,25)/t17-/m1/s1
InChIKey QQPVWGDNYWFMDE-QGZVFWFLSA-N
Mol Weight 436.35 g/mol
Molecular Formula C20H26BrN3O3
Exact Mass 435.115755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yCy1rAblFT
Name MDMB-5'Br-4en-PINACA
Catalog Number 39488
Lot Number 687160
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.115754706 u
Formula C20H26BrN3O3
InChI InChI=1S/C20H26BrN3O3/c1-6-7-8-11-24-15-10-9-13(21)12-14(15)16(23-24)18(25)22-17(19(26)27-5)20(2,3)4/h6,9-10,12,17H,1,7-8,11H2,2-5H3,(H,22,25)/t17-/m1/s1
InChIKey QQPVWGDNYWFMDE-QGZVFWFLSA-N
Molecular Weight 436.350 g/mol
Purity >=98%
Quality 971
SMILES N(C(C1=NN(C2=C1C=C(C=C2)Br)CCCC=C)=O)[C@](C(OC)=O)(C(C)(C)C)[H]
SPLASH splash10-0006-6292000000-5d248aeb017c0f7575a2
Source of Spectrum CAY-2024-2299-0
Synonyms MDMB-4en-P-5'Br-INACA methyl (S)-2-(5-bromo-1-(pent-4-en-1-yl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate methyl (2S)-2-{[5-bromo-1-(pent-4-en-1-yl)-1H-indazol-3-yl]formamido}-3,3-dimethylbutanoate
Wiley ID 1890481