| SpectraBase Spectrum ID |
4UJT0xoEGTY |
| Name |
mandelate of [methyl 12-phenyl(2,3-dideuterio)dodecanoate] |
| CAS Registry Number |
127309-54-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H34D2O4 |
| InChI |
InChI=1S/C27H36O4/c1-30-27(29)26(24-20-14-10-15-21-24)31-25(28)22-16-8-6-4-2-3-5-7-11-17-23-18-12-9-13-19-23/h9-10,12-15,18-21,26H,2-8,11,16-17,22H2,1H3/i16D,22D |
| InChIKey |
XCRGGDJYTPVUCD-IAKWPKOGSA-N |
| Molecular Weight |
426.593 g/mol |
| SMILES |
C(C(=O)OC)(OC(=O)C(C(CCCCCCCCCc1ccccc1)[2D])[2D])c1ccccc1 |
| SPLASH |
splash10-052f-9720000000-69f75884885a2952eb78 |
| Source of Spectrum |
H-72-927-0 |
| Wiley ID |
1379427 |
![mandelate of [methyl 12-phenyl(2,3-dideuterio)dodecanoate]](/api/spectrum/4UJT0xoEGTY/structure.png?h=300&w=458 "mandelate of [methyl 12-phenyl(2,3-dideuterio)dodecanoate]")
