| SpectraBase Compound ID | Ec8wUS2qvkP |
|---|---|
| InChI | InChI=1S/C12H14/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-4,6-8,12H,5,9-10H2 |
| InChIKey | YYSJIXPPKPIKOA-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C12H14 |
| Exact Mass | 158.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5VajbnpBIWq |
|---|---|
| Name | Benzene, (2-cyclopenten-1-ylmethyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.109550451 u |
| Formula | C12H14 |
| InChI | InChI=1S/C12H14/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-4,6-8,12H,5,9-10H2 |
| InChIKey | YYSJIXPPKPIKOA-UHFFFAOYSA-N |
| Molecular Weight | 158.244 g/mol |
| SMILES | C1(C=CCC1)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958387 |