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METHYL-(1RS,4SR,12RS)-4-PHENYLTHIO-9-OXAPENTACYCLO-[6.4.0.0(2,5).0(3,7).0(6,11)]-DODECA-10-ONE-12-CARBOXYLATE
SpectraBase Compound ID cNf3S3yTUL
InChI InChI=1S/C19H18O4S/c1-22-18(20)15-11-8-12-9-10(16(11)23-19(21)14(9)15)13(8)17(12)24-7-5-3-2-4-6-7/h2-6,8-17H,1H3/t8-,9-,10+,11+,12-,13+,14-,15+,16+,17-/m0/s1
InChIKey ZVRMCCBVUJNVMD-NGGFYKMTSA-N
Mol Weight 342.41 g/mol
Molecular Formula C19H18O4S
Exact Mass 342.09258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5bGGkgBU4pN
Name METHYL-(1RS,4SR,12RS)-4-PHENYLTHIO-9-OXAPENTACYCLO-[6.4.0.0(2,5).0(3,7).0(6,11)]-DODECA-10-ONE-12-CARBOXYLATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18O4S
InChI InChI=1S/C19H18O4S/c1-22-18(20)15-11-8-12-9-10(16(11)23-19(21)14(9)15)13(8)17(12)24-7-5-3-2-4-6-7/h2-6,8-17H,1H3/t8-,9-,10+,11+,12-,13+,14-,15+,16+,17-/m0/s1
InChIKey ZVRMCCBVUJNVMD-NGGFYKMTSA-N
Literature Reference Author D.G.GARRATT,M.D.RYAN,A.KABO
Literature Reference Citation CAN.J.CHEM.,58,2329(1980)
Literature Reference DOI 10.1139/v80-376
Molecular Weight 342.410 g/mol
Solvent Unknown
Source File Reference UWED4707