| SpectraBase Spectrum ID |
EpasxIT9Es1 |
| Name |
(8-Iodanyl-2-oxidanylidene-chromen-7-yl) 6-methoxy-3,4-dihydronaphthalene-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.996418578 u |
| Formula |
C21H15IO5 |
| InChI |
InChI=1S/C21H15IO5/c1-25-14-7-8-15-13(11-14)3-2-4-16(15)21(24)26-17-9-5-12-6-10-18(23)27-20(12)19(17)22/h4-11H,2-3H2,1H3 |
| InChIKey |
CJHYMFGDJGYZFM-UHFFFAOYSA-N |
| Molecular Weight |
474.250 g/mol |
| SMILES |
C=1(C(OC2=C(C=3OC(=O)C=CC3C=C2)I)=O)C2=C(C=C(C=C2)OC)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970261 |
