| SpectraBase Spectrum ID |
ASTkwEV4wmJ |
| Name |
(E)-1-(Benzo-[D]-[1,3]-dioxol-6-yl)-but-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.062994179 u |
| Formula |
C11H10O3 |
| InChI |
InChI=1S/C11H10O3/c1-2-3-9(12)8-4-5-10-11(6-8)14-7-13-10/h2-6H,7H2,1H3/b3-2+ |
| InChIKey |
VEKICCMQONBWOC-NSCUHMNNSA-N |
| Molecular Weight |
190.198 g/mol |
| SMILES |
C(=O)(C=1C=CC2=C(C1)OCO2)\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904829 |
![(E)-1-(Benzo-[D]-[1,3]-dioxol-6-yl)-but-2-en-1-one](/api/spectrum/ASTkwEV4wmJ/structure.png?h=300&w=458 "(E)-1-(Benzo-[D]-[1,3]-dioxol-6-yl)-but-2-en-1-one")
