SpectraBase Compound ID | GJ1F8vpBFh0 |
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InChI | InChI=1S/C7H12O2/c1-9-7-5-3-2-4-6-8/h2-3,5,7-8H,4,6H2,1H3/b3-2+,7-5- |
InChIKey | YXRHZPGKFGICDU-KQSAIEMLSA-N |
Mol Weight | 128.17 g/mol |
Molecular Formula | C7H12O2 |
Exact Mass | 128.08373 g/mol |
SpectraBase Spectrum ID | 67bbDrvVjz4 |
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Name | 6-Methoxy-3E,5Z-hexadien-1-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 128.083729624 u |
Formula | C7H12O2 |
InChI | InChI=1S/C7H12O2/c1-9-7-5-3-2-4-6-8/h2-3,5,7-8H,4,6H2,1H3/b3-2+,7-5- |
InChIKey | YXRHZPGKFGICDU-KQSAIEMLSA-N |
SMILES | C(O)C\C=C\C=C/OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949033 |