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KZZDNOHACHYORW-UHFFFAOYSA-N

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KZZDNOHACHYORW-UHFFFAOYSA-N
SpectraBase Compound ID Ap3h7w3A3K1
InChI InChI=1S/C45H42O6S3/c1-46-40-19-31-16-35-23-44(50-26-29-8-5-11-38(53)14-29)42(48-3)21-33(35)18-36-24-45(51-27-30-9-6-12-39(54)15-30)41(47-2)20-32(36)17-34(31)22-43(40)49-25-28-7-4-10-37(52)13-28/h4-15,19-24,52-54H,16-18,25-27H2,1-3H3
InChIKey KZZDNOHACHYORW-UHFFFAOYSA-N
Mol Weight 775.0 g/mol
Molecular Formula C45H42O6S3
Exact Mass 774.214353 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E0IX9ICUKBt
Name KZZDNOHACHYORW-UHFFFAOYSA-N
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H42O6S3
InChI InChI=1S/C45H42O6S3/c1-46-40-19-31-16-35-23-44(50-26-29-8-5-11-38(53)14-29)42(48-3)21-33(35)18-36-24-45(51-27-30-9-6-12-39(54)15-30)41(47-2)20-32(36)17-34(31)22-43(40)49-25-28-7-4-10-37(52)13-28/h4-15,19-24,52-54H,16-18,25-27H2,1-3H3
InChIKey KZZDNOHACHYORW-UHFFFAOYSA-N
Literature Reference Author C.BOUGAULT,J.JORDANOV,M.BARDET
Literature Reference Citation MAGN.RES.CHEM.,34,24(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199601)34:1<24::aid-omr836>3.0.co;2-7
Molecular Weight 775.005 g/mol
Solvent CDCl3
Source File Reference UWCP2240