| SpectraBase Compound ID | 8NP8js0hCrB |
|---|---|
| InChI | InChI=1S/C11H15ClO/c1-7-5-8(2)11(13-4)9(3)10(7)6-12/h5H,6H2,1-4H3 |
| InChIKey | OFAPOIQWQHHULN-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 | B5oAt2iAFAB |
|---|---|
| Name | 1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene |
| 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/c1-7-5-8(2)11(13-4)9(3)10(7)6-12/h5H,6H2,1-4H3 |
| InChIKey | OFAPOIQWQHHULN-UHFFFAOYSA-N |
| Molecular Weight | 198.693 g/mol |
| SMILES | C1(=C(C(=C(C=C1C)C)OC)C)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.836698 |