| SpectraBase Compound ID | 3W0RkXOE5dU |
|---|---|
| InChI | InChI=1S/C14H21NO/c1-3-5-11-15(14(16)4-2)12-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3 |
| InChIKey | LCKFXEZDCSCWMN-UHFFFAOYSA-N |
| Mol Weight | 219.33 g/mol |
| Molecular Formula | C14H21NO |
| Exact Mass | 219.162314 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Px4P4Y8I5Z |
|---|---|
| Name | N-Butylbenzylamine prop |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.162314299 u |
| Formula | C14H21NO |
| InChI | InChI=1S/C14H21NO/c1-3-5-11-15(14(16)4-2)12-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3 |
| InChIKey | LCKFXEZDCSCWMN-UHFFFAOYSA-N |
| Molecular Weight | 219.328 g/mol |
| SMILES | C(N(CC1=CC=CC=C1)CCCC)(CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91456 |