| SpectraBase Compound ID | ISmppTrPdB6 |
|---|---|
| InChI | InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10?,11-,12?,13?,14?,15-,16?,17-,18?,19+,20?/m1/s1 |
| InChIKey | XUCIJNAGGSZNQT-WRFLPYFISA-N |
| Mol Weight | 457.43 g/mol |
| Molecular Formula | C20H27NO11 |
| Exact Mass | 457.158411 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Zppwo4Dkkf |
|---|---|
| Name | Amygdalin(R) |
| CAS Registry Number | 51371-34-7 |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H27NO11 |
| InChI | InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10?,11-,12?,13?,14?,15-,16?,17-,18?,19+,20?/m1/s1 |
| InChIKey | XUCIJNAGGSZNQT-WRFLPYFISA-N |
| Instrument Name | SF = 090 MHz |
| Literature Reference | J. Org. Chem. 45, 507 (1980). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |