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5-CARBETHOXYMETHYL-4-CARBOTHIOMETHYL-1,2-DIHYDROXY-6-METHYL-5,8-DIHYDRONAPHTHALENE
SpectraBase Compound ID 2JePGtzPDgW
InChI InChI=1S/C17H20O5S/c1-4-22-14(19)8-11-9(2)5-6-10-15(11)12(17(21)23-3)7-13(18)16(10)20/h5,7,11,18,20H,4,6,8H2,1-3H3
InChIKey AJPVGKNSDTYAIP-UHFFFAOYSA-N
Mol Weight 336.4 g/mol
Molecular Formula C17H20O5S
Exact Mass 336.103145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID aAKoa4wUUX
Name 5-CARBETHOXYMETHYL-4-CARBOTHIOMETHYL-1,2-DIHYDROXY-6-METHYL-5,8-DIHYDRONAPHTHALENE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20O5S
InChI InChI=1S/C17H20O5S/c1-4-22-14(19)8-11-9(2)5-6-10-15(11)12(17(21)23-3)7-13(18)16(10)20/h5,7,11,18,20H,4,6,8H2,1-3H3
InChIKey AJPVGKNSDTYAIP-UHFFFAOYSA-N
Literature Reference Author R.CARLINI,K.HIGGS,N.TAYLOR,R.RODRIGO
Literature Reference Citation CAN.J.CHEM.,75,805(1997)
Literature Reference DOI 10.1139/v97-097
Molecular Weight 336.403 g/mol
Solvent ACETONE-D6
Source File Reference UWCP6019