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DHNUIJYRJBEZJM-JEDNCBNOSA-N

View entire compound with spectra: 1 NMR

DHNUIJYRJBEZJM-JEDNCBNOSA-N
SpectraBase Compound ID GstOeRZvbyH
InChI InChI=1S/C6H9NO2.C6H12S3/c1-5(3-4-7)9-6(2)8;1-2-8-5-6-9-4-3-7-1/h5H,3H2,1-2H3;1-6H2/t5-;/m0./s1
InChIKey DHNUIJYRJBEZJM-JEDNCBNOSA-N
Mol Weight 307.48 g/mol
Molecular Formula C12H21NO2S3
Exact Mass 307.073442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jtku33mV8wy
Name DHNUIJYRJBEZJM-JEDNCBNOSA-N
Compound Number 1/20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H21NO2S3
InChI InChI=1S/C6H9NO2.C6H12S3/c1-5(3-4-7)9-6(2)8;1-2-8-5-6-9-4-3-7-1/h5H,3H2,1-2H3;1-6H2/t5-;/m0./s1
InChIKey DHNUIJYRJBEZJM-JEDNCBNOSA-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 307.484 g/mol
Solvent CDCl3;2-EQUIVALENTS-CROWN-ETHER