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

*Links on SpectraBase are not permalinks.

Isoquinoline-3-carboxylic acid, 2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydro-, methyl ester

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

Isoquinoline-3-carboxylic acid, 2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydro-, methyl ester
SpectraBase Compound ID 2B1hDHxyPvw
InChI InChI=1S/C17H16FNO4S/c1-23-17(20)16-10-12-4-2-3-5-13(12)11-19(16)24(21,22)15-8-6-14(18)7-9-15/h2-9,16H,10-11H2,1H3
InChIKey MTKYNRMWGLYBIN-UHFFFAOYSA-N
Mol Weight 349.38 g/mol
Molecular Formula C17H16FNO4S
Exact Mass 349.078407 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 BXeN5AoOtpM
Name methyl 2-[(4-fluorophenyl)sulfonyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.078407332 u
Formula C17H16FNO4S
InChI InChI=1S/C17H16FNO4S/c1-23-17(20)16-10-12-4-2-3-5-13(12)11-19(16)24(21,22)15-8-6-14(18)7-9-15/h2-9,16H,10-11H2,1H3
InChIKey MTKYNRMWGLYBIN-UHFFFAOYSA-N
Molecular Weight 349.376 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5664
Solvent DMSO-d6
Source Vendor ID: NMR/12318910
Temperature 29.85 °C