| SpectraBase Compound ID | FtwRO28ubiJ |
|---|---|
| InChI | InChI=1S/C12H17N/c1-3-4-9-13-10-12-7-5-11(2)6-8-12/h5-8,10H,3-4,9H2,1-2H3/b13-10- |
| InChIKey | NSSZZXRKKBIESQ-RAXLEYEMSA-N |
| Mol Weight | 175.27 g/mol |
| Molecular Formula | C12H17N |
| Exact Mass | 175.1361 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 52pqHy65UZl |
|---|---|
| Name | N-Butyl-4-methylbenzaldimine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.136099551 u |
| Formula | C12H17N |
| InChI | InChI=1S/C12H17N/c1-3-4-9-13-10-12-7-5-11(2)6-8-12/h5-8,10H,3-4,9H2,1-2H3/b13-10- |
| InChIKey | NSSZZXRKKBIESQ-RAXLEYEMSA-N |
| Molecular Weight | 175.275 g/mol |
| SMILES | C1(=CC=C(C=C1)C)\C=N/CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.823412 |