| SpectraBase Compound ID | HeFhnEA2YDK |
|---|---|
| InChI | InChI=1S/C10H17Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-5,8-10H2,1H3 |
| InChIKey | WQROTKWHQIGFTO-UHFFFAOYSA-N |
| Mol Weight | 172.7 g/mol |
| Molecular Formula | C10H17Cl |
| Exact Mass | 172.101878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9MzltbyXzaC |
|---|---|
| Name | 1-Chloro-4-decyne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.101878247 u |
| Formula | C10H17Cl |
| InChI | InChI=1S/C10H17Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-5,8-10H2,1H3 |
| InChIKey | WQROTKWHQIGFTO-UHFFFAOYSA-N |
| Molecular Weight | 172.699 g/mol |
| SMILES | C(CCCCl)#CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965695 |