| SpectraBase Spectrum ID |
Ex9yqZ6qGmS |
| Name |
Dimethyl 2-pentadeuteriophenyl-5,6-diphenylpyridine-3,4-dicarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H16D5NO4 |
| InChI |
InChI=1S/C27H21NO4/c1-31-26(29)22-21(18-12-6-3-7-13-18)24(19-14-8-4-9-15-19)28-25(23(22)27(30)32-2)20-16-10-5-11-17-20/h3-17H,1-2H3/i5D,10D,11D,16D,17D |
| InChIKey |
HRDSSKGBNZTWIL-RKFDYNETSA-N |
| Molecular Weight |
428.499 g/mol |
| SMILES |
c1(-c2c(c(C(=O)OC)c(c(n2)-c2ccccc2)-c2ccccc2)C(=O)OC)c(c([D])c(c(c1[D])[D])[D])[D] |
| SPLASH |
splash10-004i-0003900000-19fae95b61aa224d9ef3 |
| Source of Spectrum |
AT-33-3790-13 |
| Wiley ID |
836342 |
