| SpectraBase Compound ID | HInSlUApZMh |
|---|---|
| InChI | InChI=1S/C11H15ClO/c1-9(12)8-11(13-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 |
| InChIKey | DTBIDNVZYVCUCB-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 | 2mMFFsA1haj |
|---|---|
| Name | 2-Chloro-4-methoxy-4-phenylbutane (isomer 1) |
| 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/c1-9(12)8-11(13-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 |
| InChIKey | DTBIDNVZYVCUCB-UHFFFAOYSA-N |
| Molecular Weight | 198.693 g/mol |
| SMILES | C(C(C1=CC=CC=C1)OC)C(Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952618 |