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benzoic acid, 4-chloro-2-(1-pyrrolidinyl)-5-(1-pyrrolidinylsulfonyl)-, 3-phenylpropyl ester

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benzoic acid, 4-chloro-2-(1-pyrrolidinyl)-5-(1-pyrrolidinylsulfonyl)-, 3-phenylpropyl ester
SpectraBase Compound ID Jt06upjAo0L
InChI InChI=1S/C24H29ClN2O4S/c25-21-18-22(26-12-4-5-13-26)20(17-23(21)32(29,30)27-14-6-7-15-27)24(28)31-16-8-11-19-9-2-1-3-10-19/h1-3,9-10,17-18H,4-8,11-16H2
InChIKey MRKHOBGLINZUQV-UHFFFAOYSA-N
Mol Weight 477.02 g/mol
Molecular Formula C24H29ClN2O4S
Exact Mass 476.153656 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9bZeYK7RJ4P
Name benzoic acid, 4-chloro-2-(1-pyrrolidinyl)-5-(1-pyrrolidinylsulfonyl)-, 3-phenylpropyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.153656292 u
Formula C24H29ClN2O4S
InChI InChI=1S/C24H29ClN2O4S/c25-21-18-22(26-12-4-5-13-26)20(17-23(21)32(29,30)27-14-6-7-15-27)24(28)31-16-8-11-19-9-2-1-3-10-19/h1-3,9-10,17-18H,4-8,11-16H2
InChIKey MRKHOBGLINZUQV-UHFFFAOYSA-N
Molecular Weight 477.019 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1206
Solvent DMSO-d6
Source Vendor ID: NMR/13239872