SpectraBase Compound ID | DdPacj9J8pl |
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InChI | InChI=1S/C5H7IO/c6-4-2-1-3-5-7/h1-4,7H,5H2/b3-1+,4-2+ |
InChIKey | MYETXAGSAOKIPX-ZPUQHVIOSA-N |
Mol Weight | 210.01 g/mol |
Molecular Formula | C5H7IO |
Exact Mass | 209.95416 g/mol |
SpectraBase Spectrum ID | EV04rr1bzNw |
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Name | (2E,4E)-5-Iodanylpenta-2,4-dien-1-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 209.954159844 u |
Formula | C5H7IO |
InChI | InChI=1S/C5H7IO/c6-4-2-1-3-5-7/h1-4,7H,5H2/b3-1+,4-2+ |
InChIKey | MYETXAGSAOKIPX-ZPUQHVIOSA-N |
Molecular Weight | 210.014 g/mol |
SMILES | C(\C=C\C=C\I)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931754 |