| SpectraBase Compound ID | Lkxr2b4L6E7 |
|---|---|
| InChI | InChI=1S/C11H12/c1-2-3-5-8-11-9-6-4-7-10-11/h3-4,6-7,9-10H,1,5,8H2 |
| InChIKey | UQFBTHBETMAYBM-UHFFFAOYSA-N |
| Mol Weight | 144.22 g/mol |
| Molecular Formula | C11H12 |
| Exact Mass | 144.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CbkrrwvO3Yq |
|---|---|
| Name | Penta-3,4-dienylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.093900386 u |
| Formula | C11H12 |
| InChI | InChI=1S/C11H12/c1-2-3-5-8-11-9-6-4-7-10-11/h3-4,6-7,9-10H,1,5,8H2 |
| InChIKey | UQFBTHBETMAYBM-UHFFFAOYSA-N |
| Molecular Weight | 144.217 g/mol |
| SMILES | C=C=CCCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974043 |