| SpectraBase Spectrum ID |
LGyA7mugmav |
| Name |
1H-Azepine-3,6-dicarboxylic acid, 4-cyano-4,5-dihydro-2,5,7-trimethyl-, dimethyl ester, trans-(.+-.)- |
| Alternate Name(s) |
Dimethyl (4R,5R)-4-cyano-2,5,7-trimethyl-4,5-dihydro-1H-azepine-3,6-dicarboxylate
Dimethyl 4-cyano-4,5-dihydro-2,5,7-trimethylazepine-3,6-dicarboxylate |
| CAS Registry Number |
69911-94-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18N2O4 |
| InChI |
InChI=1S/C14H18N2O4/c1-7-10(6-15)12(14(18)20-5)9(3)16-8(2)11(7)13(17)19-4/h7,10,16H,1-5H3/t7-,10-/m1/s1 |
| InChIKey |
VFKOPOBPAWPLCL-GMSGAONNSA-N |
| Molecular Weight |
278.308 g/mol |
| SMILES |
N1C(=C([C@@]([C@](C(=C1C)C(=O)OC)(C)[H])(C#N)[H])C(=O)OC)C |
| SPLASH |
splash10-004i-1930000000-16f6ed5e1870a676864b |
| Source of Spectrum |
I-57-49-0 |
| Wiley ID |
1281780 |
