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TRIMETHYL-[(+/-)-1-BETA-TERT.-BUTOXY-7A-BETA-METHYL-2,3,3A-ALPHA,6,7,7A-HEXAHYDRO-5(4H)-OXO]-1H-INDEN-6-ALPHA-YL-METHYL-AMMONIUMIODIDE

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TRIMETHYL-[(+/-)-1-BETA-TERT.-BUTOXY-7A-BETA-METHYL-2,3,3A-ALPHA,6,7,7A-HEXAHYDRO-5(4H)-OXO]-1H-INDEN-6-ALPHA-YL-METHYL-AMMONIUMIODIDE
SpectraBase Compound ID EkPJTVS3v7o
InChI InChI=1S/C18H34NO2.HI/c1-17(2,3)21-16-9-8-14-10-15(20)13(11-18(14,16)4)12-19(5,6)7;/h13-14,16H,8-12H2,1-7H3;1H/q+1;/p-1/t13-,14-,16-,18-;/m0./s1
InChIKey JALVHLYSWUUALQ-OYDMLLMWSA-M
Mol Weight 423.4 g/mol
Molecular Formula C18H34INO2
Exact Mass 423.163424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5A7rFbwQVZR
Name TRIMETHYL-[(+/-)-1-BETA-TERT.-BUTOXY-7A-BETA-METHYL-2,3,3A-ALPHA,6,7,7A-HEXAHYDRO-5(4H)-OXO]-1H-INDEN-6-ALPHA-YL-METHYL-AMMONIUMIODIDE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H34INO2
InChI InChI=1S/C18H34NO2.HI/c1-17(2,3)21-16-9-8-14-10-15(20)13(11-18(14,16)4)12-19(5,6)7;/h13-14,16H,8-12H2,1-7H3;1H/q+1;/p-1/t13-,14-,16-,18-;/m0./s1
InChIKey JALVHLYSWUUALQ-OYDMLLMWSA-M
Literature Reference Author D.J.COLLINS,G.D.FALLON,C.E.SKENE
Literature Reference Citation AUSTR.J.CHEM.,45,71(1992)
Literature Reference DOI 10.1071/ch9920071
Molecular Weight 423.378 g/mol
Solvent PYRIDINE-D5
Source File Reference UWRK38