| SpectraBase Compound ID | 6G3liC8DOND |
|---|---|
| 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-YIJPGWOQSA-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 | IWRL6GsFVQa |
|---|---|
| Name | AMYGDALIN |
| CAS Registry Number | 29883-15-6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-YIJPGWOQSA-N |
| Literature Reference Author | C.R.SMITH-JR.,D.WEISLEDER,R.W.MILLER,I.S.PALMER,O.E.OLSON |
| Literature Reference Citation | J.ORG.CHEM.,45,507(1980) |
| Literature Reference DOI | 10.1021/jo01291a027 |
| Molecular Weight | 457.434 g/mol |
| Solvent | D2O |
| Source File Reference | UNIW18507 |