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1-[p-(ISOPROPYLSULFONYL)PHENYL]-1,2,3,4-TETRAHYDRO-6,7-ISOQUINOLINEDIOL, HYDROCHLORIDE
SpectraBase Compound ID Lm69KxLA6eG
InChI InChI=1S/C18H21NO4S.ClH/c1-11(2)24(22,23)14-5-3-12(4-6-14)18-15-10-17(21)16(20)9-13(15)7-8-19-18;/h3-6,9-11,18-21H,7-8H2,1-2H3;1H
InChIKey DDXWOKUJTIWYQI-UHFFFAOYSA-N
Mol Weight 383.89 g/mol
Molecular Formula C18H22ClNO4S
Exact Mass 383.095807 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K9XkagNJFam
Name 1-[p-(ISOPROPYLSULFONYL)PHENYL]-1,2,3,4-TETRAHYDRO-6,7-ISOQUINOLINEDIOL, HYDROCHLORIDE
Source of Sample M. S. Chodnekar, F. Hoffmann-La Roche & Company Ltd., Basel, Switzerland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO4S HCl
InChI InChI=1S/C18H21NO4S.ClH/c1-11(2)24(22,23)14-5-3-12(4-6-14)18-15-10-17(21)16(20)9-13(15)7-8-19-18;/h3-6,9-11,18-21H,7-8H2,1-2H3;1H
InChIKey DDXWOKUJTIWYQI-UHFFFAOYSA-N
Melting Point 165-170C (dec.)
Molecular Weight 383.90
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 6,7-ISOQUINOLINEDIOL, 1-/P-/ISOPROPYLSULFONYL/PHENYL/-1,2,3,4-TETRAHYDRO-, HYDROCHLORIDE