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2-[E-(PROP-1-EN-1-YL)]-4-PHENOXYPHENOXYETHYL-4-TOLUENESULFONATE
SpectraBase Compound ID 6nAdQKwonv
InChI InChI=1S/C24H24O5S/c1-3-7-20-18-22(29-21-8-5-4-6-9-21)12-15-24(20)27-16-17-28-30(25,26)23-13-10-19(2)11-14-23/h3-15,18H,16-17H2,1-2H3/b7-3+
InChIKey BNDNHGZVNNPUMR-XVNBXDOJSA-N
Mol Weight 424.51 g/mol
Molecular Formula C24H24O5S
Exact Mass 424.134445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31uVnWqKvzX
Name 2-[E-(PROP-1-EN-1-YL)]-4-PHENOXYPHENOXYETHYL-4-TOLUENESULFONATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H24O5S
InChI InChI=1S/C24H24O5S/c1-3-7-20-18-22(29-21-8-5-4-6-9-21)12-15-24(20)27-16-17-28-30(25,26)23-13-10-19(2)11-14-23/h3-15,18H,16-17H2,1-2H3/b7-3+
InChIKey BNDNHGZVNNPUMR-XVNBXDOJSA-N
Literature Reference Author E.ELHALEM,B.N.BAILEY,R.DOCAMPO,I.UJVARY,S.H.SZAJNMAN,J.B.ROD RIGUEZ
Literature Reference Citation J.MED.CHEM.,45,3984(2002)
Literature Reference DOI 10.1021/jm0201518
Molecular Weight 424.512 g/mol
Sample ID 64980
Solvent CDCl3