| SpectraBase Compound ID | IsJhiEOys4T |
|---|---|
| InChI | InChI=1S/C11H14/c1-2-6-10(7-3-1)11-8-4-5-9-11/h4-5,8-9H,1-3,6-7H2 |
| InChIKey | MIODROMBEUMZIF-UHFFFAOYSA-N |
| Mol Weight | 146.23 g/mol |
| Molecular Formula | C11H14 |
| Exact Mass | 146.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F25shFN5fX2 |
|---|---|
| Name | 6,6-Pentamethylenefulvene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.109550451 u |
| Formula | C11H14 |
| InChI | InChI=1S/C11H14/c1-2-6-10(7-3-1)11-8-4-5-9-11/h4-5,8-9H,1-3,6-7H2 |
| InChIKey | MIODROMBEUMZIF-UHFFFAOYSA-N |
| Molecular Weight | 146.233 g/mol |
| SMILES | C1C(=C2C=CC=C2)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857987 |