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1-Isoquinolinecarboxylic acid, 2,2'-sulfonylbis[1,2,3,4-tetrahydro-, diethyl ester, (R*,S*)-
SpectraBase Compound ID 4wRxCZgDi6k
InChI InChI=1S/C24H28N2O6S/c1-3-31-23(27)21-19-11-7-5-9-17(19)13-15-25(21)33(29,30)26-16-14-18-10-6-8-12-20(18)22(26)24(28)32-4-2/h5-12,21-22H,3-4,13-16H2,1-2H3
InChIKey OCMFGIUQPYETQO-UHFFFAOYSA-N
Mol Weight 472.56 g/mol
Molecular Formula C24H28N2O6S
Exact Mass 472.166808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pIvroBRJBv
Name 1-Isoquinolinecarboxylic acid, 2,2'-sulfonylbis[1,2,3,4-tetrahydro-, diethyl ester, (R*,S*)-
Alternate Name(s) Bis[2-[(1-ethoxycarbonyl))-1,2,3,4-tetrahydroisoquinolinyl]]sulfone Ethyl 2-[(1-(ethoxycarbonyl)-3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-1,2,3,4-tetrahydro-1-isoquinolinecarboxylate
CAS Registry Number 130669-96-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28N2O6S
InChI InChI=1S/C24H28N2O6S/c1-3-31-23(27)21-19-11-7-5-9-17(19)13-15-25(21)33(29,30)26-16-14-18-10-6-8-12-20(18)22(26)24(28)32-4-2/h5-12,21-22H,3-4,13-16H2,1-2H3
InChIKey OCMFGIUQPYETQO-UHFFFAOYSA-N
Molecular Weight 472.556 g/mol
SMILES C1(N(S(N2C(c3ccccc3CC2)C(=O)OCC)(=O)=O)CCc2ccccc12)C(=O)OCC
SPLASH splash10-000t-0539000000-4814119437964c484275
Source of Spectrum J-55-6103-29
Wiley ID 1393296