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5-CARBOXYMETHYL-4A-CARBOTHIOMETHYL-1-HYDROXY-4-METHYL-2,4A,5,8-TETRAHYDRONAPHTHALENE-2-ONE
SpectraBase Compound ID 9fI6dMnt01Z
InChI InChI=1S/C17H20O5S/c1-4-22-14(19)9-11-6-5-7-12-15(20)13(18)8-10(2)17(11,12)16(21)23-3/h5-6,8,11,20H,4,7,9H2,1-3H3
InChIKey YGIYUIJJWYCZCZ-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 7DlAFwmczii
Name 5-CARBOXYMETHYL-4A-CARBOTHIOMETHYL-1-HYDROXY-4-METHYL-2,4A,5,8-TETRAHYDRONAPHTHALENE-2-ONE
Compound Number 1C
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)9-11-6-5-7-12-15(20)13(18)8-10(2)17(11,12)16(21)23-3/h5-6,8,11,20H,4,7,9H2,1-3H3
InChIKey YGIYUIJJWYCZCZ-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 CDCl3
Source File Reference UWCP6016