| SpectraBase Spectrum ID |
Ca5KNSc5gal |
| Name |
Paracetamol-m (ho-methoxy-) ac @P551 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.079372518 u |
| Formula |
C11H13NO5 |
| InChI |
InChI=1S/C11H13NO5/c1-6(13)12-8-4-5-9(17-7(2)14)11(16-3)10(8)15/h4-5,15H,1-3H3,(H,12,13) |
| InChIKey |
UWCAQRYDSZNSIS-UHFFFAOYSA-N |
| Molecular Weight |
239.227 g/mol |
| SMILES |
C=1C(=C(C(O)=C(C1)NC(=O)C)OC)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954435 |
