| SpectraBase Compound ID | 3C1EDmgYTPC |
|---|---|
| InChI | InChI=1S/C14H14/c1-2-9-14(11-12-14)10-8-13-6-4-3-5-7-13/h2-7H,1,9,11-12H2 |
| InChIKey | ANTMSCXAOXIERB-UHFFFAOYSA-N |
| Mol Weight | 182.27 g/mol |
| Molecular Formula | C14H14 |
| Exact Mass | 182.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3CTVCMtILyw |
|---|---|
| Name | 1-(2'-Phenylethynyl)-1-allylcyclopropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.109550451 u |
| Formula | C14H14 |
| InChI | InChI=1S/C14H14/c1-2-9-14(11-12-14)10-8-13-6-4-3-5-7-13/h2-7H,1,9,11-12H2 |
| InChIKey | ANTMSCXAOXIERB-UHFFFAOYSA-N |
| Molecular Weight | 182.266 g/mol |
| SMILES | C(C1(CC1)CC=C)#CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.83338 |