| SpectraBase Compound ID | 8l5CeGYfZFN |
|---|---|
| InChI | InChI=1S/C15H26N2O5/c1-4-17-11-7-8-15(13(19)21-5-2,14(20)22-6-3)9-10(11)12(16)18/h10-11,17H,4-9H2,1-3H3,(H2,16,18)/t10-,11+/m0/s1 InChI=1S/C15H26N2O5/c1-4-17-11-7-8-15(13(19)21-5-2,14(20)22-6-3)9-10(11)12(16)18/h10-11,17H,4-9H2,1-3H3,(H2,16,18)/t10-,11+/m1/s1 |
| InChIKey | YWGJNTURJXNLEN-WDEREUQCSA-N |
| Mol Weight | 314.38 g/mol |
| Molecular Formula | C15H26N2O5 |
| Exact Mass | 314.184172 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LxPTSgCG5RQ |
|---|---|
| Name | cis-3-Carbamoyl-4-(ethylamino)-1,1-cyclohexanedicarboxylic acid, diethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.184171940 u |
| Formula | C15H26N2O5 |
| InChI | InChI=1S/C15H26N2O5/c1-4-17-11-7-8-15(13(19)21-5-2,14(20)22-6-3)9-10(11)12(16)18/h10-11,17H,4-9H2,1-3H3,(H2,16,18)/t10-,11+/m0/s1 |
| InChIKey | YWGJNTURJXNLEN-WDEREUQCSA-N |
| SMILES | N([C@@]1(CCC(C[C@@]1(C(N)=O)[H])(C(OCC)=O)C(OCC)=O)[H])CC |
| Spectrum/Structure Validation Score (Raman) | 0.747375 |