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2-[(BENZOYLOXYCARBONYL)-AMINO]-2-[(4-METHYLPHENYL)-SULFENYL]-3,3,3-TRIFLUOROPROPANAL
SpectraBase Compound ID 4XzumKCQVGP
InChI InChI=1S/C18H16F3NO3S/c1-13-7-9-15(10-8-13)26-17(12-23,18(19,20)21)22-16(24)25-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,22,24)/t17-/m1/s1
InChIKey AQESYUSLGHYKHF-QGZVFWFLSA-N
Mol Weight 383.39 g/mol
Molecular Formula C18H16F3NO3S
Exact Mass 383.080299 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 785KMRZTvy0
Name 2-[(BENZOYLOXYCARBONYL)-AMINO]-2-[(4-METHYLPHENYL)-SULFENYL]-3,3,3-TRIFLUOROPROPANAL
Compound Number (R)-1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16F3NO3S
InChI InChI=1S/C18H16F3NO3S/c1-13-7-9-15(10-8-13)26-17(12-23,18(19,20)21)22-16(24)25-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,22,24)/t17-/m1/s1
InChIKey AQESYUSLGHYKHF-QGZVFWFLSA-N
Literature Reference Author A.VOLONTERIO,B.VERGANI,M.CRUCIANELLI,M.ZANDA,P.BRAVO
Literature Reference Citation J.ORG.CHEM.,63,7236(1998)
Literature Reference DOI 10.1021/jo980602p
Solvent CDCl3
Source File Reference UWMZ26154