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SYN-3,4-(ETHYLENEDIOXY)-2-THIENYL-(1-ADAMANTYL)-(TERT.-BUTYL)-METHANOL
SpectraBase Compound ID LB99e0BTTqi
InChI InChI=1S/C21H30O3S/c1-19(2,3)21(22,18-17-16(12-25-18)23-4-5-24-17)20-9-13-6-14(10-20)8-15(7-13)11-20/h12-15,22H,4-11H2,1-3H3/t13-,14+,15-,20?,21-/m0/s1
InChIKey GPJXYHQUUALTPE-DDZVGZJHSA-N
Mol Weight 362.53 g/mol
Molecular Formula C21H30O3S
Exact Mass 362.191566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWS2oyLSo3
Name SYN-3,4-(ETHYLENEDIOXY)-2-THIENYL-(1-ADAMANTYL)-(TERT.-BUTYL)-METHANOL
Compound Number 2S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O3S
InChI InChI=1S/C21H30O3S/c1-19(2,3)21(22,18-17-16(12-25-18)23-4-5-24-17)20-9-13-6-14(10-20)8-15(7-13)11-20/h12-15,22H,4-11H2,1-3H3/t13-,14+,15-,20?,21-/m0/s1
InChIKey GPJXYHQUUALTPE-DDZVGZJHSA-N
Literature Reference Author J.S.LOMAS
Literature Reference Citation J.CHEM.SOC.PERKIN-2,754(2001)
Literature Reference DOI 10.1039/b010082j
Molecular Weight 362.527 g/mol
Solvent CDCl3
Source File Reference UWMZ20092