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YIMXCAIQIWIIQT-GZOLSCHFSA-M

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YIMXCAIQIWIIQT-GZOLSCHFSA-M
SpectraBase Compound ID 206MRQ3ut8x
InChI InChI=1S/C32H47N2O2S.HI/c1-24-8-9-29(27-13-17-36-19-27)33-21-31(14-10-28(24)33)20-32(37-23-31)15-11-30(34(3,4)22-32)25(2)6-5-7-26-12-16-35-18-26;/h5,7,12-13,16-19,24-25,28-30H,6,8-11,14-15,20-23H2,1-4H3;1H/q+1;/p-1/b7-5+;
InChIKey YIMXCAIQIWIIQT-GZOLSCHFSA-M
Mol Weight 650.7 g/mol
Molecular Formula C32H47IN2O2S
Exact Mass 650.240295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vnGvl5tBeS
Name YIMXCAIQIWIIQT-GZOLSCHFSA-M
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H47IN2O2S
InChI InChI=1S/C32H47N2O2S.HI/c1-24-8-9-29(27-13-17-36-19-27)33-21-31(14-10-28(24)33)20-32(37-23-31)15-11-30(34(3,4)22-32)25(2)6-5-7-26-12-16-35-18-26;/h5,7,12-13,16-19,24-25,28-30H,6,8-11,14-15,20-23H2,1-4H3;1H/q+1;/p-1/b7-5+;
InChIKey YIMXCAIQIWIIQT-GZOLSCHFSA-M
Literature Reference Author J.CYBULSKI,K.WOJTASIEWICZ
Literature Reference Citation J.MOL.STRUCT.,118,141(1984)
Literature Reference DOI 10.1016/0022-2860(84)85189-3
Molecular Weight 650.702 g/mol
Solvent CDCl3
Source File Reference UWCS9956