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4-fluoro EDMB-BUTINACA
SpectraBase Compound ID 7JpNu0XAOd0
InChI InChI=1S/C20H28FN3O3/c1-5-27-19(26)17(20(2,3)4)22-18(25)16-14-10-6-7-11-15(14)24(23-16)13-9-8-12-21/h6-7,10-11,17H,5,8-9,12-13H2,1-4H3,(H,22,25)/t17-/m1/s1
InChIKey TZDMWTGIOFQOFD-QGZVFWFLSA-N
Mol Weight 377.46 g/mol
Molecular Formula C20H28FN3O3
Exact Mass 377.21147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ct4FkcFP4vj
Name 4-fluoro EDMB-BUTINACA
Catalog Number 33374
Lot Number 606442
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.211469934 u
Formula C20H28FN3O3
InChI InChI=1S/C20H28FN3O3/c1-5-27-19(26)17(20(2,3)4)22-18(25)16-14-10-6-7-11-15(14)24(23-16)13-9-8-12-21/h6-7,10-11,17H,5,8-9,12-13H2,1-4H3,(H,22,25)/t17-/m1/s1
InChIKey TZDMWTGIOFQOFD-QGZVFWFLSA-N
Molecular Weight 377.460 g/mol
Purity >=98%
Quality 991
SMILES N(C(C1=NN(C2=C1C=CC=C2)CCCCF)=O)[C@@](C(C)(C)C)(C(OCC)=O)[H]
SPLASH splash10-014i-2593000000-efb25f93bc46af0b19da
Source of Spectrum CAY-2024-2300-0
Synonyms ethyl (S)-2-(1-(4-fluorobutyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate ethyl (2S)-2-{[1-(4-fluorobutyl)-1H-indazol-3-yl]formamido}-3,3-dimethylbutanoate
Wiley ID 1890482