| SpectraBase Compound ID | 52pHcjN5TjK |
|---|---|
| InChI | InChI=1S/C12H15NO3/c1-15-11-4-2-3-10(9-11)12(14)13-5-7-16-8-6-13/h2-4,9H,5-8H2,1H3 |
| InChIKey | RHNTVFHFVCLETB-UHFFFAOYSA-N |
| Mol Weight | 221.26 g/mol |
| Molecular Formula | C12H15NO3 |
| Exact Mass | 221.105193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FRhQ91R1ETJ |
|---|---|
| Name | m-Anisic acid, morpholide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.105193344 u |
| Formula | C12H15NO3 |
| InChI | InChI=1S/C12H15NO3/c1-15-11-4-2-3-10(9-11)12(14)13-5-7-16-8-6-13/h2-4,9H,5-8H2,1H3 |
| InChIKey | RHNTVFHFVCLETB-UHFFFAOYSA-N |
| Molecular Weight | 221.256 g/mol |
| SMILES | C1=C(C=CC=C1OC)C(N1CCOCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928098 |