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4-BROMO-HEXAHYDRO-ECHINULIN

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4-BROMO-HEXAHYDRO-ECHINULIN
SpectraBase Compound ID 3HHbgNHj2vk
InChI InChI=1S/C29H44BrN3O2/c1-9-29(7,8)26-21(15-22-28(35)31-18(6)27(34)32-22)23-24(30)19(12-10-16(2)3)14-20(25(23)33-26)13-11-17(4)5/h14,16-18,22,33H,9-13,15H2,1-8H3,(H,31,35)(H,32,34)
InChIKey BKABPBPSZAJWKM-UHFFFAOYSA-N
Mol Weight 546.6 g/mol
Molecular Formula C29H44BrN3O2
Exact Mass 545.261691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hJA88euI6s
Name 4-BROMO-HEXAHYDRO-ECHINULIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44BrN3O2
InChI InChI=1S/C29H44BrN3O2/c1-9-29(7,8)26-21(15-22-28(35)31-18(6)27(34)32-22)23-24(30)19(12-10-16(2)3)14-20(25(23)33-26)13-11-17(4)5/h14,16-18,22,33H,9-13,15H2,1-8H3,(H,31,35)(H,32,34)
InChIKey BKABPBPSZAJWKM-UHFFFAOYSA-N
Literature Reference Author R.R.FRASER,S.PASSANNANTI,F.PIOZZI
Literature Reference Citation CAN.J.CHEM.,54,2915(1976)
Literature Reference DOI 10.1139/v76-412
Molecular Weight 546.591 g/mol
Solvent CDCl3
Source File Reference UWED2106