| SpectraBase Spectrum ID |
JW7OLlbKAA5 |
| Name |
(1R,2R)-Dimethyl 4-dimethylaminomethyl-4-cyclohexene-1,2-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
255.147058156 u |
| Formula |
C13H21NO4 |
| InChI |
InChI=1S/C13H21NO4/c1-14(2)8-9-5-6-10(12(15)17-3)11(7-9)13(16)18-4/h5,10-11H,6-8H2,1-4H3/t10-,11-/m1/s1 |
| InChIKey |
LVPKNSKVANXQDI-GHMZBOCLSA-N |
| Molecular Weight |
255.314 g/mol |
| SMILES |
[C@]1([C@](C(=O)OC)(CC=C(C1)CN(C)C)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820251 |
