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ALIRQZZROVYUIK-VWMHFEHESA-N

View entire compound with spectra: 1 NMR

ALIRQZZROVYUIK-VWMHFEHESA-N
SpectraBase Compound ID CeKumfMSrwi
InChI InChI=1S/C12H24S6.C4H7NO/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;1-4(6)2-3-5/h1-12H2;4,6H,2H2,1H3/t;4-/m.0/s1
InChIKey ALIRQZZROVYUIK-VWMHFEHESA-N
Mol Weight 445.8 g/mol
Molecular Formula C16H31NOS6
Exact Mass 445.072992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JrDuL30xQWX
Name ALIRQZZROVYUIK-VWMHFEHESA-N
Compound Number 2/22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H31NOS6
InChI InChI=1S/C12H24S6.C4H7NO/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;1-4(6)2-3-5/h1-12H2;4,6H,2H2,1H3/t;4-/m.0/s1
InChIKey ALIRQZZROVYUIK-VWMHFEHESA-N
Literature Reference Author T.ITOH,Y.TAKAGI,T.MURAKAMI,Y.HIYAMA,H.TSUKUBE
Literature Reference Citation J.ORG.CHEM.,61,2158(1996)
Literature Reference DOI 10.1021/jo951598+
Molecular Weight 445.788 g/mol
Solvent CDCl3;2-EQUIVALENTS-CROWN-ETHER