| SpectraBase Spectrum ID |
Du2SPWwlRrj |
| Name |
1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.084123546 u |
| Formula |
C17H14O5 |
| InChI |
InChI=1S/C17H14O5/c1-11(18)22-17(12-5-3-2-4-6-12)16(19)13-7-8-14-15(9-13)21-10-20-14/h2-9,17H,10H2,1H3 |
| InChIKey |
CAEXDOWCEXQLIP-UHFFFAOYSA-N |
| Molecular Weight |
298.294 g/mol |
| SMILES |
C1OC=2C(O1)=CC=C(C2)C(=O)C(OC(=O)C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977046 |
