| SpectraBase Spectrum ID |
CPfxPf1O4Fv |
| Name |
3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-oxopropanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
203.058243151 u |
| Formula |
C11H9NO3 |
| InChI |
InChI=1S/C11H9NO3/c12-4-3-9(13)8-1-2-10-11(7-8)15-6-5-14-10/h1-2,7H,3,5-6H2 |
| InChIKey |
POGKLPJUZGOSPG-UHFFFAOYSA-N |
| Molecular Weight |
203.197 g/mol |
| SMILES |
C1=CC2=C(C=C1C(=O)CC#N)OCCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921029 |
