| SpectraBase Compound ID | 9pJSfCqyo2Y |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-10-7-11(2)9-12(8-10)13-3-5-14-6-4-13/h7-9H,3-6H2,1-2H3 |
| InChIKey | AOSSPMPDNZONNA-UHFFFAOYSA-N |
| Mol Weight | 191.27 g/mol |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131014 g/mol |
| SpectraBase Spectrum ID | Bs90RIQYPJ0 |
|---|---|
| Name | 4-(3,5-Dimethylphenyl)morpholine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.131014170 u |
| Formula | C12H17NO |
| InChI | InChI=1S/C12H17NO/c1-10-7-11(2)9-12(8-10)13-3-5-14-6-4-13/h7-9H,3-6H2,1-2H3 |
| InChIKey | AOSSPMPDNZONNA-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C1N(CCOC1)C=1C=C(C=C(C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867376 |