| SpectraBase Spectrum ID |
9qLlzHMPlPf |
| Name |
Perhydro-3-(3,4,alpha-trimethoxy-2-nitrobenzylidene)-2-oxofuran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.084851820 u |
| Formula |
C14H15NO7 |
| InChI |
InChI=1S/C14H15NO7/c1-19-10-5-4-8(11(15(17)18)13(10)21-3)12(20-2)9-6-7-22-14(9)16/h4-5H,6-7H2,1-3H3/b12-9+ |
| InChIKey |
WQLZTZXZMBKWMY-FMIVXFBMSA-N |
| Molecular Weight |
309.274 g/mol |
| SMILES |
C1(\C(CCO1)=C/(C1=CC=C(OC)C(=C1N(=O)=O)OC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826197 |
