| SpectraBase Compound ID | KGVBOnCpnTF |
|---|---|
| InChI | InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-11-14-17-15-12-9-10-13-16(17)18/h2-15H2,1H3 |
| InChIKey | PCEPYENXHJPCEF-UHFFFAOYSA-N |
| Mol Weight | 253.43 g/mol |
| Molecular Formula | C16H31NO |
| Exact Mass | 253.240565 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LYAS9NbEp27 |
|---|---|
| Name | N-Decyl-.epsilon.-caprolactam |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.240564621 u |
| Formula | C16H31NO |
| InChI | InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-11-14-17-15-12-9-10-13-16(17)18/h2-15H2,1H3 |
| InChIKey | PCEPYENXHJPCEF-UHFFFAOYSA-N |
| Molecular Weight | 253.430 g/mol |
| SMILES | C1(CCCCCN1CCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970123 |