| SpectraBase Spectrum ID |
5Kk3hBw5sHG |
| Name |
dimethyl [2,7-dideuterio]-3,6-hexanooxepine-4,5-dicarboxylate |
| CAS Registry Number |
105210-11-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18D2O5 |
| InChI |
InChI=1S/C16H20O5/c1-19-15(17)13-11-7-5-3-4-6-8-12(10-21-9-11)14(13)16(18)20-2/h9-10H,3-8H2,1-2H3/i9D,10D |
| InChIKey |
WAHYUZDDLAIVES-QDRJLNDYSA-N |
| Molecular Weight |
294.343 g/mol |
| SMILES |
C1(=C(C(=O)OC)C2=C([2D])OC(=C1CCCCCC2)[2D])C(=O)OC |
| SPLASH |
splash10-001i-0090000000-94dc64041ff1cd3592ab |
| Source of Spectrum |
K-122-204-1 |
| Wiley ID |
1295425 |
![dimethyl [2,7-dideuterio]-3,6-hexanooxepine-4,5-dicarboxylate](/api/spectrum/5Kk3hBw5sHG/structure.png?h=300&w=458 "dimethyl [2,7-dideuterio]-3,6-hexanooxepine-4,5-dicarboxylate")
