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Phenyl 2-(2-cyanoacetamido)-3-(1H-indol-3-yl)propanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Phenyl 2-(2-cyanoacetamido)-3-(1H-indol-3-yl)propanoate
SpectraBase Compound ID DPFgGbVINLN
InChI InChI=1S/C20H17N3O3/c21-11-10-19(24)23-18(20(25)26-15-6-2-1-3-7-15)12-14-13-22-17-9-5-4-8-16(14)17/h1-9,13,18,22H,10,12H2,(H,23,24)
InChIKey MVNDGANNRSBQRA-UHFFFAOYSA-N
Mol Weight 347.37 g/mol
Molecular Formula C20H17N3O3
Exact Mass 347.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JY8VkIglUl
Name Phenyl 2-(2-cyanoacetamido)-3-(1H-indol-3-yl)propanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.126991416 u
Formula C20H17N3O3
InChI InChI=1S/C20H17N3O3/c21-11-10-19(24)23-18(20(25)26-15-6-2-1-3-7-15)12-14-13-22-17-9-5-4-8-16(14)17/h1-9,13,18,22H,10,12H2,(H,23,24)
InChIKey MVNDGANNRSBQRA-UHFFFAOYSA-N
Molecular Weight 347.374 g/mol
SMILES C1=CC=C2NC=C(C2=C1)CC(NC(CC#N)=O)C(OC1=CC=CC=C1)=O