| SpectraBase Compound ID | 5N2rjWuSGF6 |
|---|---|
| InChI | InChI=1S/C20H28O7S/c1-10-5-14(22)6-11(2)8-16(17-12(3)18(23)26-15(17)7-10)27-19(24)20(25,9-21)13(4)28/h6-7,13-17,21-22,25,28H,3,5,8-9H2,1-2,4H3/b10-7+,11-6-/t13?,14?,15-,16?,17+,20?/m1/s1 |
| InChIKey | VLJMGJBBVNUYSJ-JMCREBGOSA-N |
| Mol Weight | 412.5 g/mol |
| Molecular Formula | C20H28O7S |
| Exact Mass | 412.155574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K128esAxP4p |
|---|---|
| Name | |
| CAS Registry Number | 72229-36-8 |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H28O7S |
| InChI | InChI=1S/C20H28O7S/c1-10-5-14(22)6-11(2)8-16(17-12(3)18(23)26-15(17)7-10)27-19(24)20(25,9-21)13(4)28/h6-7,13-17,21-22,25,28H,3,5,8-9H2,1-2,4H3/b10-7+,11-6-/t13?,14?,15-,16?,17+,20?/m1/s1 |
| InChIKey | VLJMGJBBVNUYSJ-JMCREBGOSA-N |
| Instrument Name | SF = 270 MHz |
| Literature Reference | J. Org. Chem. 45, 489 (1980). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |