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[(R)-(2-METHOXY-2-TRIFLUOROMETHYL)-PHENYL-ACETYL]-ESTER-CORONALACTONE
SpectraBase Compound ID DJn18NkVziE
InChI InChI=1S/C30H35F3O6/c1-27(2)23-11-10-18-17-38-22(20-13-15-37-25(20)34)16-21(18)28(23,3)14-12-24(27)39-26(35)29(36-4,30(31,32)33)19-8-6-5-7-9-19/h5-9,13,22-24H,10-12,14-17H2,1-4H3/t22-,23-,24-,28+,29+/m0/s1
InChIKey PGQRBTCJZFBOPB-WVFZVYJASA-N
Mol Weight 548.6 g/mol
Molecular Formula C30H35F3O6
Exact Mass 548.238573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPqFApp2Np8
Name [(R)-(2-METHOXY-2-TRIFLUOROMETHYL)-PHENYL-ACETYL]-ESTER-CORONALACTONE
Compound Number (R)-MTPAESTER-#1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H35F3O6
InChI InChI=1S/C30H35F3O6/c1-27(2)23-11-10-18-17-38-22(20-13-15-37-25(20)34)16-21(18)28(23,3)14-12-24(27)39-26(35)29(36-4,30(31,32)33)19-8-6-5-7-9-19/h5-9,13,22-24H,10-12,14-17H2,1-4H3/t22-,23-,24-,28+,29+/m0/s1
InChIKey PGQRBTCJZFBOPB-WVFZVYJASA-N
Literature Reference Author S.NAKAMURA,Y.OKAZAKI,K.NINOMIYA,T.MORIKAWA,H.MATSUDA,M.YOSHI KAWA
Literature Reference Citation CHEM.PHARM.BULL.,56,1704(2008)
Literature Reference DOI 10.1248/cpb.56.1704
Molecular Weight 548.600 g/mol
Sample ID 2507
Solvent CDCl3