| SpectraBase Compound ID | 5HV22klMwb3 |
|---|---|
| InChI | InChI=1S/C11H19NO2/c1-2-14-11(13)8-9-12-10-6-4-3-5-7-10/h2-9H2,1H3 |
| InChIKey | ZXDWFCYRHHHHTL-UHFFFAOYSA-N |
| Mol Weight | 197.28 g/mol |
| Molecular Formula | C11H19NO2 |
| Exact Mass | 197.141579 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ITRa4c0cGM7 |
|---|---|
| Name | Ethyl 3-(cyclohexylideneamino)propanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.141578854 u |
| Formula | C11H19NO2 |
| InChI | InChI=1S/C11H19NO2/c1-2-14-11(13)8-9-12-10-6-4-3-5-7-10/h2-9H2,1H3 |
| InChIKey | ZXDWFCYRHHHHTL-UHFFFAOYSA-N |
| Molecular Weight | 197.278 g/mol |
| SMILES | C1(CCCCC1)=NCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831099 |