John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=145p8mdK4Lx SpectraBase Spectrum ID=9YsGKAjSv4r

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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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9YsGKAjSv4r
Name AB-BICA
Source of Sample Cayman Chemical Company
Catalog Number 18759
Lot Number 0480276-5
CAS Registry Number 1969264-37-6
Cell Type NMR tube
Compound Type Pure
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Formula C21H23N3O2
IUPAC Name N-[(1S)-1-(Aminocarbonyl)-2-methylpropyl]-1-(phenylmethyl)-1H-indole-3-carboxamide
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
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 648 mW
Raman Laser Source Nd:YAG
SMILES N(C(c1c2ccccc2[n](c1)Cc1ccccc1)=O)[C@](C(N)=O)(C(C)C)[H]
Scans Performed 4672
Source of Spectrum Forensic Spectral Research
SpectraBase Batch ID BOQWk90ZOQa
Technique FT-Raman