For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
benzoic acid, 4-chloro-2-[[3-(dimethylamino)propyl]amino]-5-(1-piperidinylsulfonyl)-
SpectraBase Compound ID 5wLL0CFbEsC
InChI InChI=1S/C17H26ClN3O4S/c1-20(2)8-6-7-19-15-12-14(18)16(11-13(15)17(22)23)26(24,25)21-9-4-3-5-10-21/h11-12,19H,3-10H2,1-2H3,(H,22,23)
InChIKey MRLCMERBNASOFI-UHFFFAOYSA-N
Mol Weight 403.93 g/mol
Molecular Formula C17H26ClN3O4S
Exact Mass 403.133255 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BVKMbvKyEx2
Name benzoic acid, 4-chloro-2-[[3-(dimethylamino)propyl]amino]-5-(1-piperidinylsulfonyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.133255199 u
Formula C17H26ClN3O4S
InChI InChI=1S/C17H26ClN3O4S/c1-20(2)8-6-7-19-15-12-14(18)16(11-13(15)17(22)23)26(24,25)21-9-4-3-5-10-21/h11-12,19H,3-10H2,1-2H3,(H,22,23)
InChIKey MRLCMERBNASOFI-UHFFFAOYSA-N
Molecular Weight 403.925 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1237
Solvent DMSO-d6
Source Vendor ID: NMR/13239910