| SpectraBase Compound ID | 3TeDHStIj0l |
|---|---|
| InChI | InChI=1S/C10H9ClO/c1-9-3-5-10(6-4-9)12-8-2-7-11/h3-6H,8H2,1H3 |
| InChIKey | UNLNZHHLHPOAGB-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 | G89FwRfPrrH |
|---|---|
| Name | Toluene, 4-(3-chloro-2-propynyloxy)- |
| 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/c1-9-3-5-10(6-4-9)12-8-2-7-11/h3-6H,8H2,1H3 |
| InChIKey | UNLNZHHLHPOAGB-UHFFFAOYSA-N |
| Molecular Weight | 180.634 g/mol |
| SMILES | C(#CCl)COC=1C=CC(C)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94679 |