| SpectraBase Compound ID | 2pEVX2kyhi1 |
|---|---|
| InChI | InChI=1S/C10H18N2O/c1-3-4-5-6-7-10(8-11)12-9(2)13/h10H,3-7H2,1-2H3,(H,12,13) |
| InChIKey | FBEHQXZYWPGRGX-UHFFFAOYSA-N |
| Mol Weight | 182.27 g/mol |
| Molecular Formula | C10H18N2O |
| Exact Mass | 182.141913 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5WXvFV94QPD |
|---|---|
| Name | N-Heptylamine, N-acetyl-1-cyano- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.141913207 u |
| Formula | C10H18N2O |
| InChI | InChI=1S/C10H18N2O/c1-3-4-5-6-7-10(8-11)12-9(2)13/h10H,3-7H2,1-2H3,(H,12,13) |
| InChIKey | FBEHQXZYWPGRGX-UHFFFAOYSA-N |
| Molecular Weight | 182.267 g/mol |
| SMILES | C(CCCCCC)(NC(C)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957118 |