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AB-BICA

View entire compound with spectra: 3 FTIR, 1 Raman, and 1 MS (GC)

AB-BICA
SpectraBase Compound ID 145p8mdK4Lx
InChI InChI=1S/C21H23N3O2/c1-14(2)19(20(22)25)23-21(26)17-13-24(12-15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h3-11,13-14,19H,12H2,1-2H3,(H2,22,25)(H,23,26)/t19-/m0/s1
InChIKey KWZMKPNXFPNTEJ-IBGZPJMESA-N
Mol Weight 349.43 g/mol
Molecular Formula C21H23N3O2
Exact Mass 349.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2FbfG6xcVn
Name AB-BICA
Alternate Name(s) N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-(phenylmethyl)-1H-indole-3-carboxamide (S)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-benzyl-1H-indole-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3O2
InChI InChI=1S/C21H23N3O2/c1-14(2)19(20(22)25)23-21(26)17-13-24(12-15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h3-11,13-14,19H,12H2,1-2H3,(H2,22,25)(H,23,26)/t19-/m0/s1
InChIKey KWZMKPNXFPNTEJ-IBGZPJMESA-N
Molecular Weight 349.434 g/mol
SMILES N(C(=O)c1c[n](Cc2ccccc2)c2c1cccc2)[C@](C(N)=O)(C(C)C)[H]
SPLASH splash10-000x-7290000000-4f03b5cbea7b48577a2a
Source of Spectrum SWG-33-4592-0
Wiley ID 1811190