SpectraBase Spectrum ID |
3ai7S8Ie3Ih |
Name |
2C-I-m 3ac P1550 |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
436.001897880 u |
Formula |
C15H17IO7 |
InChI |
InChI=1S/C15H17IO7/c1-8(17)21-7-15(23-10(3)19)11-5-14(22-9(2)18)12(16)6-13(11)20-4/h5-6,15H,7H2,1-4H3 |
InChIKey |
ZRHOOYQMGBOXRP-UHFFFAOYSA-N |
Molecular Weight |
436.198 g/mol |
SMILES |
C1(=C(C=C(OC)C(=C1)C(COC(=O)C)OC(=O)C)I)OC(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90972 |