| SpectraBase Compound ID | 1nAocHFLQze |
|---|---|
| InChI | InChI=1S/C8H12O/c1-3-5-6-8-9-7-4-2/h3-6H,1-2,7-8H2/b6-5+ |
| InChIKey | OIOJJGTXJJUBCJ-AATRIKPKSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1rbmSYnBoYg |
|---|---|
| Name | 1,3-Pentadiene, 5-(2-propenyloxy)-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.088815005 u |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-3-5-6-8-9-7-4-2/h3-6H,1-2,7-8H2/b6-5+ |
| InChIKey | OIOJJGTXJJUBCJ-AATRIKPKSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C(\C=C\COCC=C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873637 |