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2-[(1-PHENYLSULFONYL)-TRYPTOPHYL]-4-(TERT.-BUTOXYCARBONYL)-7-KETO-1,2,7,8,9,10-HEXAHYDROISOQUINOLINE
SpectraBase Compound ID ElAgSquUW5g
InChI InChI=1S/C30H32N2O5S/c1-30(2,3)37-29(34)27-20-31(18-22-17-23(33)13-14-25(22)27)16-15-21-19-32(28-12-8-7-11-26(21)28)38(35,36)24-9-5-4-6-10-24/h4-14,19-20,22,25H,15-18H2,1-3H3/t22-,25-/m1/s1
InChIKey UKAJRZGGSFQKMW-RCZVLFRGSA-N
Mol Weight 532.7 g/mol
Molecular Formula C30H32N2O5S
Exact Mass 532.203193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DHRCUONqeKV
Name 2-[(1-PHENYLSULFONYL)-TRYPTOPHYL]-4-(TERT.-BUTOXYCARBONYL)-7-KETO-1,2,7,8,9,10-HEXAHYDROISOQUINOLINE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H32N2O5S
InChI InChI=1S/C30H32N2O5S/c1-30(2,3)37-29(34)27-20-31(18-22-17-23(33)13-14-25(22)27)16-15-21-19-32(28-12-8-7-11-26(21)28)38(35,36)24-9-5-4-6-10-24/h4-14,19-20,22,25H,15-18H2,1-3H3/t22-,25-/m1/s1
InChIKey UKAJRZGGSFQKMW-RCZVLFRGSA-N
Literature Reference Author E.W.BAXTER,D.LABAREE,H.L.AMMON,P.S.MARIANO
Literature Reference Citation J.AM.CHEM.SOC.,112,7682(1990)
Literature Reference DOI 10.1021/ja00177a032
Molecular Weight 532.654 g/mol
Solvent CDCl3
Source File Reference UWSI1025