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2-ACETYL-6,7-DIMETHOXY-1-[p-(ISOPROPYLSULFONYL)PHENYL]-1,2,3,4-TETRAHYDROISOQUINOLINE
SpectraBase Compound ID 6knRV4i0QVm
InChI InChI=1S/C22H27NO5S/c1-14(2)29(25,26)18-8-6-16(7-9-18)22-19-13-21(28-5)20(27-4)12-17(19)10-11-23(22)15(3)24/h6-9,12-14,22H,10-11H2,1-5H3
InChIKey HJIRDFGPYLYPOB-UHFFFAOYSA-N
Mol Weight 417.52 g/mol
Molecular Formula C22H27NO5S
Exact Mass 417.160994 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2zxDfweTCtb
Name 2-ACETYL-6,7-DIMETHOXY-1-[p-(ISOPROPYLSULFONYL)PHENYL]-1,2,3,4-TETRAHYDROISOQUINOLINE
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 C22H27NO5S
InChI InChI=1S/C22H27NO5S/c1-14(2)29(25,26)18-8-6-16(7-9-18)22-19-13-21(28-5)20(27-4)12-17(19)10-11-23(22)15(3)24/h6-9,12-14,22H,10-11H2,1-5H3
InChIKey HJIRDFGPYLYPOB-UHFFFAOYSA-N
Literature Reference JMCH 11, 1023(1968)
Melting Point 181-182C
Molecular Weight 417.519989
Synonyms ISOQUINOLINE, 2-ACETYL-6,7-DI- METHOXY-1-/P-/ISOPROPYLSULFONYL/- PHENYL/-1,2,3,4-TETRAHYDRO-,
Technique KBr WAFER