| SpectraBase Spectrum ID |
FS0vyCPF1ba |
| Name |
Propanedioic acid, (4-iodo-2-butenyl)-, diethyl ester, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.017154023 u |
| Formula |
C11H17IO4 |
| InChI |
InChI=1S/C11H17IO4/c1-3-15-10(13)9(7-5-6-8-12)11(14)16-4-2/h5-6,9H,3-4,7-8H2,1-2H3/b6-5+ |
| InChIKey |
JPIFKXIETACOST-AATRIKPKSA-N |
| Molecular Weight |
340.157 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)C\C=C\CI |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986338 |
