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ROGIOLOXEPANE-C-(+)-MTPA-ESTER;(+)-(2R,4S,5S,7R)-2-(1-BROMOPROPYL)-5-CHLORO-7-[(Z)-1-CHLOROHEX-3-EN-5-YNYL]-OXEPAN-4-YL-(+)-S-(2-TRIFLUOROMETHYL-2-METHOXY-2-PH

View entire compound with spectra: 1 NMR

ROGIOLOXEPANE-C-(+)-MTPA-ESTER;(+)-(2R,4S,5S,7R)-2-(1-BROMOPROPYL)-5-CHLORO-7-[(Z)-1-CHLOROHEX-3-EN-5-YNYL]-OXEPAN-4-YL-(+)-S-(2-TRIFLUOROMETHYL-2-METHOXY-2-PH
SpectraBase Compound ID EqCkfPBYDhg
InChI InChI=1S/C25H28BrCl2F3O4/c1-4-6-8-13-18(27)21-14-19(28)22(15-20(34-21)17(26)5-2)35-23(32)24(33-3,25(29,30)31)16-11-9-7-10-12-16/h1,6-12,17-22H,5,13-15H2,2-3H3/b8-6-/t17-,18+,19+,20-,21-,22+,24+/m1/s1
InChIKey VYLSYSJKLIBCLH-RHCYBKPPSA-N
Mol Weight 600.3 g/mol
Molecular Formula C25H28BrCl2F3O4
Exact Mass 598.050012 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6kEL0yzcgqe
Name ROGIOLOXEPANE-C-(+)-MTPA-ESTER;(+)-(2R,4S,5S,7R)-2-(1-BROMOPROPYL)-5-CHLORO-7-[(Z)-1-CHLOROHEX-3-EN-5-YNYL]-OXEPAN-4-YL-(+)-S-(2-TRIFLUOROMETHYL-2-METHOXY-2-PH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28BrCl2F3O4
InChI InChI=1S/C25H28BrCl2F3O4/c1-4-6-8-13-18(27)21-14-19(28)22(15-20(34-21)17(26)5-2)35-23(32)24(33-3,25(29,30)31)16-11-9-7-10-12-16/h1,6-12,17-22H,5,13-15H2,2-3H3/b8-6-/t17-,18+,19+,20-,21-,22+,24+/m1/s1
InChIKey VYLSYSJKLIBCLH-RHCYBKPPSA-N
Literature Reference Author G.GUELLA,I.MANCINI,G.CHIASERA,F.PIETRA
Literature Reference Citation HELV.CHIM.ACTA,75,310(1992)
Literature Reference DOI 10.1002/hlca.19920750128
Molecular Weight 600.300 g/mol
Solvent CDCl3
Source File Reference UWCS6886