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AB-7-FUBAICA

View entire compound with spectra: 1 MS (GC)

AB-7-FUBAICA
SpectraBase Compound ID HMWE7IBvf5B
InChI InChI=1S/C20H21FN4O2/c1-12(2)17(18(22)26)24-20(27)16-11-25(19-15(16)4-3-9-23-19)10-13-5-7-14(21)8-6-13/h3-9,11-12,17H,10H2,1-2H3,(H2,22,26)(H,24,27)/t17-/m1/s1
InChIKey AIZFETCNFVMZGT-QGZVFWFLSA-N
Mol Weight 368.41 g/mol
Molecular Formula C20H21FN4O2
Exact Mass 368.164854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOF3NsAwz6q
Name AB-7-FUBAICA
Alternate Name(s) (S)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21FN4O2
InChI InChI=1S/C20H21FN4O2/c1-12(2)17(18(22)26)24-20(27)16-11-25(19-15(16)4-3-9-23-19)10-13-5-7-14(21)8-6-13/h3-9,11-12,17H,10H2,1-2H3,(H2,22,26)(H,24,27)/t17-/m1/s1
InChIKey AIZFETCNFVMZGT-QGZVFWFLSA-N
Molecular Weight 368.412 g/mol
SMILES N(C(c1c2cccnc2[n](c1)Cc1ccc(cc1)F)=O)[C@@](C(N)=O)(C(C)C)[H]
SPLASH splash10-0zfr-2890000000-8907e05b8487cdbb6b15
Source of Spectrum SWG-33-4866-0
Wiley ID 1811453