| SpectraBase Compound ID | C2iwetnJRGy |
|---|---|
| InChI | InChI=1S/C36H39F3O20/c1-14(40)48-12-25-28(50-16(3)42)30(51-17(4)43)33(54-20(7)46)35(58-25)59-29-26(13-49-15(2)41)57-34(32(53-19(6)45)31(29)52-18(5)44)55-21-8-9-22-23(36(37,38)39)11-27(47)56-24(22)10-21/h8-11,25-26,28-35H,12-13H2,1-7H3/t25-,26-,28+,29-,30+,31+,32-,33-,34-,35+/m1/s1 |
| InChIKey | QYMNWIAZTWELBI-INOMAQDISA-N |
| Mol Weight | 848.7 g/mol |
| Molecular Formula | C36H39F3O20 |
| Exact Mass | 848.198678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FGl4GlbXLqj |
|---|---|
| Name | 4-TRIFLUOROMETHYLUMBELLIFERYL HEPTA-O-ACETYL-BETA-LACTOSIDE |
| Comments | 2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H39F3O20 |
| InChI | InChI=1S/C36H39F3O20/c1-14(40)48-12-25-28(50-16(3)42)30(51-17(4)43)33(54-20(7)46)35(58-25)59-29-26(13-49-15(2)41)57-34(32(53-19(6)45)31(29)52-18(5)44)55-21-8-9-22-23(36(37,38)39)11-27(47)56-24(22)10-21/h8-11,25-26,28-35H,12-13H2,1-7H3/t25-,26-,28+,29-,30+,31+,32-,33-,34-,35+/m1/s1 |
| InChIKey | QYMNWIAZTWELBI-INOMAQDISA-N |
| Instrument Name | Bruker AM-300 |
| Literature Reference | YA.V.VOZNY, I.S.KALICHEVA, A.A.GALOYAN (1989) Bioorganich.Khim.(Russ. Lang.):v.15, N8, 1107-1112. |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |