| SpectraBase Compound ID | BCp2794K9VY |
|---|---|
| InChI | InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-8H,1H2 |
| InChIKey | WEHMXWJFCCNXHJ-UHFFFAOYSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C9H8 |
| Exact Mass | 116.0626 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4lmI6db8tAH |
|---|---|
| Name | 1-Phenyl-1,2-propadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 117.070425290 u |
| Formula | C9H9 |
| InChI | InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-8H,1H2 |
| InChIKey | WEHMXWJFCCNXHJ-UHFFFAOYSA-N |
| Molecular Weight | 117.171 g/mol |
| Nominal Mass | 117 u |
| SMILES | [CH3]=C=CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906026 |