| SpectraBase Compound ID | 45uoXs9aLlE |
|---|---|
| InChI | InChI=1S/C10H13ClO2/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-5,10,12H,6-7H2,1H3 |
| InChIKey | LNXPEZCAIXOKIW-UHFFFAOYSA-N |
| Mol Weight | 200.66 g/mol |
| Molecular Formula | C10H13ClO2 |
| Exact Mass | 200.060407 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3Yf6mchnHXf |
|---|---|
| Name | 1-Chloro-3-(2-methoxyphenyl)-1-propanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.060407357 u |
| Formula | C10H13ClO2 |
| InChI | InChI=1S/C10H13ClO2/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-5,10,12H,6-7H2,1H3 |
| InChIKey | LNXPEZCAIXOKIW-UHFFFAOYSA-N |
| Molecular Weight | 200.665 g/mol |
| SMILES | C(CCC=1C(=CC=CC1)OC)(O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915585 |