| SpectraBase Compound ID | 5UmMwjO0j5u |
|---|---|
| InChI | InChI=1S/C11H15ClO/c1-13-11-7-4-6-10(9-11)5-2-3-8-12/h4,6-7,9H,2-3,5,8H2,1H3 |
| InChIKey | SUWWBOYYHIMLDZ-UHFFFAOYSA-N |
| Mol Weight | 198.69 g/mol |
| Molecular Formula | C11H15ClO |
| Exact Mass | 198.081143 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IfuhQCcccor |
|---|---|
| Name | 1-(4-Chlorobutyl)-3-methoxybenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.081142802 u |
| Formula | C11H15ClO |
| InChI | InChI=1S/C11H15ClO/c1-13-11-7-4-6-10(9-11)5-2-3-8-12/h4,6-7,9H,2-3,5,8H2,1H3 |
| InChIKey | SUWWBOYYHIMLDZ-UHFFFAOYSA-N |
| Molecular Weight | 198.693 g/mol |
| SMILES | C=1C(OC)=CC=CC1CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932662 |