| SpectraBase Compound ID | 2rAHUIW8F2r |
|---|---|
| InChI | InChI=1S/C10H13ClO/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10H,3H2,1-2H3 |
| InChIKey | VAJVHEJTGDHFJX-UHFFFAOYSA-N |
| Mol Weight | 184.67 g/mol |
| Molecular Formula | C10H13ClO |
| Exact Mass | 184.065493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DIBs9ARriAT |
|---|---|
| Name | Benzene, 1-(1-chloropropyl)-4-methoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.065492738 u |
| Formula | C10H13ClO |
| InChI | InChI=1S/C10H13ClO/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10H,3H2,1-2H3 |
| InChIKey | VAJVHEJTGDHFJX-UHFFFAOYSA-N |
| Molecular Weight | 184.666 g/mol |
| SMILES | C=1(C=CC(=CC1)OC)C(Cl)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924106 |