| SpectraBase Spectrum ID |
I2jdpUPTTwc |
| Name |
1-(2,3-Dimethoxy-2,3-dihydro-1-benzofuran-2-yl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.089208927 u |
| Formula |
C12H14O4 |
| InChI |
InChI=1S/C12H14O4/c1-8(13)12(15-3)11(14-2)9-6-4-5-7-10(9)16-12/h4-7,11H,1-3H3 |
| InChIKey |
UXGNQZIYNHVJSQ-UHFFFAOYSA-N |
| Molecular Weight |
222.240 g/mol |
| SMILES |
C1(OC2=CC=CC=C2C1OC)(C(=O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985013 |