| SpectraBase Spectrum ID |
BBgrP4B4TMk |
| Name |
1-(2,4-Dihydroxyphenyl)-1-butanone, diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.099773610 u |
| Formula |
C14H16O5 |
| InChI |
InChI=1S/C14H16O5/c1-4-5-13(17)12-7-6-11(18-9(2)15)8-14(12)19-10(3)16/h6-8H,4-5H2,1-3H3 |
| InChIKey |
RIXHYTCZELFOCT-UHFFFAOYSA-N |
| Molecular Weight |
264.277 g/mol |
| SMILES |
C1(OC(C)=O)=C(C=CC(=C1)OC(C)=O)C(=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905394 |
