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2-(4-Methoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid

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

2-(4-Methoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid
SpectraBase Compound ID JdXff2TmnJu
InChI InChI=1S/C17H17NO5S/c1-23-13-6-8-14(9-7-13)24(21,22)18-11-10-12-4-2-3-5-15(12)16(18)17(19)20/h2-9,16H,10-11H2,1H3,(H,19,20)
InChIKey VNXIYXDIPUEOMI-UHFFFAOYSA-N
Mol Weight 347.39 g/mol
Molecular Formula C17H17NO5S
Exact Mass 347.082744 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HUjZ2C17xaS
Name 1-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-[(4-methoxyphenyl)sulfonyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.082743820 u
Formula C17H17NO5S
InChI InChI=1S/C17H17NO5S/c1-23-13-6-8-14(9-7-13)24(21,22)18-11-10-12-4-2-3-5-15(12)16(18)17(19)20/h2-9,16H,10-11H2,1H3,(H,19,20)
InChIKey VNXIYXDIPUEOMI-UHFFFAOYSA-N
Molecular Weight 347.385 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15114
Solvent DMSO-d6
Source Vendor ID: NMR/10320633; Lab Info: VUR; Lab Number: VUR-01012659