| SpectraBase Compound ID | KIXW2tir5di |
|---|---|
| InChI | InChI=1S/C21H36O12/c1-25-9-11-12(27-3)13(28-4)14(29-5)18(32-11)33-19-15-20(23,7-8-31-19)17(30-6)16(22)21(15,24)10-26-2/h7-8,11-19,22-24H,9-10H2,1-6H3/t11-,12-,13+,14-,15-,16+,17+,18+,19-,20-,21+/m0/s1 |
| InChIKey | JHPGPVIUUWWZQI-FJKFFSATSA-N |
| Mol Weight | 480.5 g/mol |
| Molecular Formula | C21H36O12 |
| Exact Mass | 480.220677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HMbAg7qanvV |
|---|---|
| Name | HEXA-O-METHYLCYNANCHOSID |
| CAS Registry Number | 86309-52-6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H36O12 |
| InChI | InChI=1S/C21H36O12/c1-25-9-11-12(27-3)13(28-4)14(29-5)18(32-11)33-19-15-20(23,7-8-31-19)17(30-6)16(22)21(15,24)10-26-2/h7-8,11-19,22-24H,9-10H2,1-6H3/t11-,12-,13+,14-,15-,16+,17+,18+,19-,20-,21+/m0/s1 |
| InChIKey | JHPGPVIUUWWZQI-FJKFFSATSA-N |
| Literature Reference Author | E.DAVINI,C.IAVARONE,C.TROGOLO |
| Literature Reference Citation | J.ORG.CHEM.,48,2854(1983) |
| Literature Reference DOI | 10.1021/jo00165a014 |
| Molecular Weight | 480.510 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW13270 |