| SpectraBase Spectrum ID |
GWVBMj6xNbI |
| Name |
5,5-Dimethyl-3-(ethoxycarbonyl)-4-hydroxy-2(5H)-furanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
200.068473481 u |
| Formula |
C9H12O5 |
| InChI |
InChI=1S/C9H12O5/c1-4-13-7(11)5-6(10)9(2,3)14-8(5)12/h10H,4H2,1-3H3 |
| InChIKey |
RQNCUNDQRNGSLC-UHFFFAOYSA-N |
| Molecular Weight |
200.190 g/mol |
| SMILES |
C=1(C(OC(C1O)(C)C)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957248 |
