SpectraBase Spectrum ID |
Jvtmb8Noc2S |
Name |
2-((2-Iodo-4,5-(methylenedioxy)phenyl)methoxy)ethanal |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
319.954553766 u |
Formula |
C10H9IO4 |
InChI |
InChI=1S/C10H9IO4/c11-8-4-10-9(14-6-15-10)3-7(8)5-13-2-1-12/h1,3-4H,2,5-6H2 |
InChIKey |
BSHPAXDFKWFMIP-UHFFFAOYSA-N |
Molecular Weight |
320.082 g/mol |
SMILES |
C=1C2=C(OCO2)C=C(C1I)COCC=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932618 |