| SpectraBase Compound ID | 7hTHLJ5v9dA |
|---|---|
| InChI | InChI=1S/C13H13NO3/c15-13-11(14-5-7-16-8-6-14)9-10-3-1-2-4-12(10)17-13/h1-4,9H,5-8H2 |
| InChIKey | PNGIGZOIQGRCMD-UHFFFAOYSA-N |
| Mol Weight | 231.25 g/mol |
| Molecular Formula | C13H13NO3 |
| Exact Mass | 231.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7LVCGTRagPG |
|---|---|
| Name | 3-Morpholinocoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.089543280 u |
| Formula | C13H13NO3 |
| InChI | InChI=1S/C13H13NO3/c15-13-11(14-5-7-16-8-6-14)9-10-3-1-2-4-12(10)17-13/h1-4,9H,5-8H2 |
| InChIKey | PNGIGZOIQGRCMD-UHFFFAOYSA-N |
| Molecular Weight | 231.251 g/mol |
| SMILES | C=1(C(OC2=C(C1)C=CC=C2)=O)N1CCOCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963236 |