| SpectraBase Compound ID | H0wcHJdC8RL |
|---|---|
| InChI | InChI=1S/C10H9ClO/c1-2-7-12-8-9-3-5-10(11)6-4-9/h3-6H,8H2,1H3 |
| InChIKey | XPPIYDGFNGMCKN-UHFFFAOYSA-N |
| Mol Weight | 180.63 g/mol |
| Molecular Formula | C10H9ClO |
| Exact Mass | 180.034193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3zuyKyXdM7K |
|---|---|
| Name | Propynyl 4-chlorobenzyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.034192609 u |
| Formula | C10H9ClO |
| InChI | InChI=1S/C10H9ClO/c1-2-7-12-8-9-3-5-10(11)6-4-9/h3-6H,8H2,1H3 |
| InChIKey | XPPIYDGFNGMCKN-UHFFFAOYSA-N |
| SMILES | C(#CC)OCC1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914539 |