| SpectraBase Compound ID | 22Mle5i7kBZ |
|---|---|
| InChI | InChI=1S/C11H15NO4/c12-11(15)5-8-1-3-10(4-2-8)16-7-9(14)6-13/h1-4,9,13-14H,5-7H2,(H2,12,15) |
| InChIKey | CQOQCZLTCMUVMX-UHFFFAOYSA-N |
| Mol Weight | 225.24 g/mol |
| Molecular Formula | C11H15NO4 |
| Exact Mass | 225.100108 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4Srxawzk40Q |
|---|---|
| Name | Benzeneacetamide, 4-(2,3-dihydroxypropoxy)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.100107963 u |
| Formula | C11H15NO4 |
| InChI | InChI=1S/C11H15NO4/c12-11(15)5-8-1-3-10(4-2-8)16-7-9(14)6-13/h1-4,9,13-14H,5-7H2,(H2,12,15) |
| InChIKey | CQOQCZLTCMUVMX-UHFFFAOYSA-N |
| SMILES | NC(CC1=CC=C(OCC(CO)O)C=C1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.993579 |