| SpectraBase Spectrum ID |
4t50T1QDSWU |
| Name |
5-Hydroxy-7-methoxy-4-(methoxymethyl)-6-methyl-1(3H)-isobenzofuranone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.084123546 u |
| Formula |
C12H14O5 |
| InChI |
InChI=1S/C12H14O5/c1-6-10(13)8(4-15-2)7-5-17-12(14)9(7)11(6)16-3/h13H,4-5H2,1-3H3 |
| InChIKey |
FTEUTICEQLCESE-UHFFFAOYSA-N |
| Molecular Weight |
238.239 g/mol |
| SMILES |
C1(=C(C(=C2C(=C1COC)COC2=O)OC)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959446 |
