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5-Isoquinolinesulfonic acid

View entire compound with spectra: 3 NMR, 3 FTIR, and 2 Raman

5-Isoquinolinesulfonic acid
SpectraBase Compound ID 4z3x2H7m7GK
InChI InChI=1S/C9H7NO3S/c11-14(12,13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H,(H,11,12,13)
InChIKey YFMJTLUPSMCTOQ-UHFFFAOYSA-N
Mol Weight 209.22 g/mol
Molecular Formula C9H7NO3S
Exact Mass 209.014664 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GLveocWKdG0
Name 5-Isoquinolinesulfonic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 246123
CAS Registry Number 27655-40-9
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO3S
InChI 1S/C9H7NO3S/c11-14(12,13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H,(H,11,12,13)
InChIKey YFMJTLUPSMCTOQ-UHFFFAOYSA-N
Observed nucleus 13C
Purity 95%
Solvent D2O & NaOD
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_004110