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

*Links on SpectraBase are not permalinks.

4-(1H-benzimidazol-2-ylsulfanyl)-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acid

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

4-(1H-benzimidazol-2-ylsulfanyl)-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acid
SpectraBase Compound ID 6llZ1RjCrtY
InChI InChI=1S/C17H21N3O4S/c1-17(2,3)24-16(23)20-9-10(8-13(20)14(21)22)25-15-18-11-6-4-5-7-12(11)19-15/h4-7,10,13H,8-9H2,1-3H3,(H,18,19)(H,21,22)
InChIKey POGCYWBOSNGZOQ-UHFFFAOYSA-N
Mol Weight 363.43 g/mol
Molecular Formula C17H21N3O4S
Exact Mass 363.125277 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 BtcJOfHixzB
Name 1,2-pyrrolidinedicarboxylic acid, 4-(1H-benzimidazol-2-ylthio)-, 1-(1,1-dimethylethyl) 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 363.125277338 u
Formula C17H21N3O4S
InChI InChI=1S/C17H21N3O4S/c1-17(2,3)24-16(23)20-9-10(8-13(20)14(21)22)25-15-18-11-6-4-5-7-12(11)19-15/h4-7,10,13H,8-9H2,1-3H3,(H,18,19)(H,21,22)
InChIKey POGCYWBOSNGZOQ-UHFFFAOYSA-N
Molecular Weight 363.432 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10448
Solvent DMSO-d6
Source Vendor ID: NMR/10222510; Lab Info: VLA; Lab Number: VLA-0000013