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(S)-(+)-4,5-DIHYDRO-3-PHENYL-5-ISOXAZOLYMETHYL-(4-METHYLBENZENE)-SULFONATE
SpectraBase Compound ID IdXnIhgmytS
InChI InChI=1S/C17H17NO4S/c1-13-7-9-16(10-8-13)23(19,20)21-12-15-11-17(18-22-15)14-5-3-2-4-6-14/h2-10,15H,11-12H2,1H3/t15-/m0/s1
InChIKey XEYWQWBEWCEPCX-HNNXBMFYSA-N
Mol Weight 331.39 g/mol
Molecular Formula C17H17NO4S
Exact Mass 331.087829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qsQr7RbyrU
Name (S)-(+)-4,5-DIHYDRO-3-PHENYL-5-ISOXAZOLYMETHYL-(4-METHYLBENZENE)-SULFONATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17NO4S
InChI InChI=1S/C17H17NO4S/c1-13-7-9-16(10-8-13)23(19,20)21-12-15-11-17(18-22-15)14-5-3-2-4-6-14/h2-10,15H,11-12H2,1H3/t15-/m0/s1
InChIKey XEYWQWBEWCEPCX-HNNXBMFYSA-N
Literature Reference Author S.YANG,W.HAYDEN,H.GRIENGL
Literature Reference Citation MH.CHEM.,125,469(1994)
Literature Reference DOI 10.1007/BF00811865
Molecular Weight 331.386 g/mol
Solvent CDCl3
Source File Reference UWSK2490