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N-[(1-propionyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-beta-alanine
SpectraBase Compound ID 1mZcKWm6e76
InChI InChI=1S/C14H18N2O5S/c1-2-13(17)16-8-6-10-9-11(3-4-12(10)16)22(20,21)15-7-5-14(18)19/h3-4,9,15H,2,5-8H2,1H3,(H,18,19)
InChIKey XCTRDRLWSRMJSX-UHFFFAOYSA-N
Mol Weight 326.37 g/mol
Molecular Formula C14H18N2O5S
Exact Mass 326.093643 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F5nSCJBim3H
Name N-[(1-propionyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-beta-alanine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.093642857 u
Formula C14H18N2O5S
InChI InChI=1S/C14H18N2O5S/c1-2-13(17)16-8-6-10-9-11(3-4-12(10)16)22(20,21)15-7-5-14(18)19/h3-4,9,15H,2,5-8H2,1H3,(H,18,19)
InChIKey XCTRDRLWSRMJSX-UHFFFAOYSA-N
Molecular Weight 326.367 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7560
Solvent DMSO-d6
Source Vendor ID: NMR/12329767