| SpectraBase Compound ID | 40TND4KiUrZ |
|---|---|
| InChI | InChI=1S/C7H11Cl/c1-7(2,3)5-4-6-8/h6H2,1-3H3 |
| InChIKey | KVZRKULKRPSPAE-UHFFFAOYSA-N |
| Mol Weight | 130.62 g/mol |
| Molecular Formula | C7H11Cl |
| Exact Mass | 130.054928 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3ydxtgLRqC3 |
|---|---|
| Name | 2-Pentyne, 1-chloro-4,4-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.054928054 u |
| Formula | C7H11Cl |
| InChI | InChI=1S/C7H11Cl/c1-7(2,3)5-4-6-8/h6H2,1-3H3 |
| InChIKey | KVZRKULKRPSPAE-UHFFFAOYSA-N |
| Molecular Weight | 130.618 g/mol |
| SMILES | C(C(C)(C)C)#CCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955582 |