| SpectraBase Compound ID | GcaxW4mrmcL |
|---|---|
| InChI | InChI=1S/C11H17NO/c1-8-6-10(7-9(2)12)4-5-11(8)13-3/h4-6,9H,7,12H2,1-3H3 |
| InChIKey | HTWBCLIOMBETGN-UHFFFAOYSA-N |
| Mol Weight | 179.26 g/mol |
| Molecular Formula | C11H17NO |
| Exact Mass | 179.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6MkrAnB6gCq |
|---|---|
| Name | 3-me-4-ma |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.131014170 u |
| Formula | C11H17NO |
| InChI | InChI=1S/C11H17NO/c1-8-6-10(7-9(2)12)4-5-11(8)13-3/h4-6,9H,7,12H2,1-3H3 |
| InChIKey | HTWBCLIOMBETGN-UHFFFAOYSA-N |
| Molecular Weight | 179.263 g/mol |
| SMILES | C1(=CC(=C(C=C1)OC)C)CC(N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932638 |