SpectraBase Compound ID | 9aLdOqnPRze |
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InChI | InChI=1S/C9H14O/c1-3-5-6-7-9-10-8-4-2/h3-4,6-7H,1-2,5,8-9H2/b7-6+ |
InChIKey | UQPNOTHMMZMBBN-VOTSOKGWSA-N |
Mol Weight | 138.21 g/mol |
Molecular Formula | C9H14O |
Exact Mass | 138.104465 g/mol |
SpectraBase Spectrum ID | 6WrlNmEi7t4 |
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Name | 1-Allyloxy-2,5-hexadiene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 138.104465070 u |
Formula | C9H14O |
InChI | InChI=1S/C9H14O/c1-3-5-6-7-9-10-8-4-2/h3-4,6-7H,1-2,5,8-9H2/b7-6+ |
InChIKey | UQPNOTHMMZMBBN-VOTSOKGWSA-N |
Molecular Weight | 138.210 g/mol |
SMILES | C(\C=C\CC=C)OCC=C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881385 |