| SpectraBase Compound ID | 9UWdnvZXcsT |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-16-13(15)12(10-5-3-2-4-6-10)11-9-17-8-7-14-11/h2-6,11-12,14H,7-9H2,1H3 |
| InChIKey | FTSNQYGFVFQKHY-UHFFFAOYSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8ZTlMnWZInA |
|---|---|
| Name | Methylmorphenate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c1-16-13(15)12(10-5-3-2-4-6-10)11-9-17-8-7-14-11/h2-6,11-12,14H,7-9H2,1H3 |
| InChIKey | FTSNQYGFVFQKHY-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | N1C(COCC1)C(C1=CC=CC=C1)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.801005 |