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MPP-BUTINACA
SpectraBase Compound ID JhZr4RleE8n
InChI InChI=1S/C22H25N3O3/c1-3-4-14-25-19-13-9-8-12-17(19)20(24-25)21(26)23-18(22(27)28-2)15-16-10-6-5-7-11-16/h5-13,18H,3-4,14-15H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKey GOPJHSQEBDURLM-SFHVURJKSA-N
Mol Weight 379.46 g/mol
Molecular Formula C22H25N3O3
Exact Mass 379.189592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ttV9XLcBsS
Name MPP-BUTINACA
Catalog Number 36852
Lot Number 649226
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N3O3
InChI InChI=1S/C22H25N3O3/c1-3-4-14-25-19-13-9-8-12-17(19)20(24-25)21(26)23-18(22(27)28-2)15-16-10-6-5-7-11-16/h5-13,18H,3-4,14-15H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKey GOPJHSQEBDURLM-SFHVURJKSA-N
Molecular Weight 379.460 g/mol
Purity >=98%
Quality 986
SMILES N(C(=O)C1=NN(CCCC)C2=C1C=CC=C2)[C@](C(OC)=O)(CC1=CC=CC=C1)[H]
SPLASH splash10-0udi-2690000000-bdc31597dd2ea8df2153
Source of Spectrum CAY-2024-2246-0
Synonyms MPhP-BUTINACA MPP(N)-073 methyl (1-butyl-1H-indazole-3-carbonyl)-L-phenylalaninate methyl (2S)-2-[(1-butyl-1H-indazol-3-yl)formamido]-3-phenylpropanoate
Wiley ID 1890431