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beta-alanine, N-[[4-[3-(1H-indol-3-yl)-1-oxopropyl]-1-piperazinyl]carbonyl]-

View entire compound with spectra: 2 NMR

beta-alanine, N-[[4-[3-(1H-indol-3-yl)-1-oxopropyl]-1-piperazinyl]carbonyl]-
SpectraBase Compound ID GC83BAClvO0
InChI InChI=1S/C19H24N4O4/c24-17(6-5-14-13-21-16-4-2-1-3-15(14)16)22-9-11-23(12-10-22)19(27)20-8-7-18(25)26/h1-4,13,21H,5-12H2,(H,20,27)(H,25,26)
InChIKey GUVAFKOGRWLKTC-UHFFFAOYSA-N
Mol Weight 372.43 g/mol
Molecular Formula C19H24N4O4
Exact Mass 372.179755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GYYBT9hxLpL
Name beta-Alanine, N-[[4-[3-(1H-indol-3-yl)-1-oxopropyl]-1-piperazinyl]carbonyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.179755265 u
Formula C19H24N4O4
InChI InChI=1S/C19H24N4O4/c24-17(6-5-14-13-21-16-4-2-1-3-15(14)16)22-9-11-23(12-10-22)19(27)20-8-7-18(25)26/h1-4,13,21H,5-12H2,(H,20,27)(H,25,26)
InChIKey GUVAFKOGRWLKTC-UHFFFAOYSA-N
Molecular Weight 372.425 g/mol
SMILES N1C=2C(C(CCC(N3CCN(C(=O)NCCC(=O)O)CC3)=O)=C1)=CC=CC2