| SpectraBase Spectrum ID |
EKuBaQzfo0z |
| Name |
5,8-Dimethoxy-6,7-methylenedioxy-1,4-dihydro-1,4-epoxynaphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.068473481 u |
| Formula |
C13H12O5 |
| InChI |
InChI=1S/C13H12O5/c1-14-10-8-6-3-4-7(18-6)9(8)11(15-2)13-12(10)16-5-17-13/h3-4,6-7H,5H2,1-2H3/t6-,7+ |
| InChIKey |
PVHVSMHAIJBRNO-KNVOCYPGSA-N |
| Molecular Weight |
248.234 g/mol |
| SMILES |
C12=C(C(OC)=C3C(=C2OC)OCO3)[C@]2(O[C@@]1(C=C2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816683 |
