| SpectraBase Compound ID | FNWJsc0Gjyj |
|---|---|
| InChI | InChI=1S/C6H12O/c1-4-5-7-6(2)3/h4-6H,1-3H3/b5-4+ |
| InChIKey | PLGKZYGGZOMZHL-SNAWJCMRSA-N |
| Mol Weight | 100.16 g/mol |
| Molecular Formula | C6H12O |
| Exact Mass | 100.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1gAQ5gqOS6w |
|---|---|
| Name | (E)-1-Propan-2-yloxyprop-1-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 100.088815005 u |
| Formula | C6H12O |
| InChI | InChI=1S/C6H12O/c1-4-5-7-6(2)3/h4-6H,1-3H3/b5-4+ |
| InChIKey | PLGKZYGGZOMZHL-SNAWJCMRSA-N |
| Molecular Weight | 100.161 g/mol |
| SMILES | C(O\C=C\C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957497 |