| SpectraBase Compound ID | Lne3QOXtkvg |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-9(2)11-7-10(8-13-3)5-6-12(11)14-4/h5-7,9H,8H2,1-4H3 |
| InChIKey | BLDPWOUVLJDCQB-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2sUPRytg2Sm |
|---|---|
| Name | 4,7-Dimethoxy-m-cymene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-9(2)11-7-10(8-13-3)5-6-12(11)14-4/h5-7,9H,8H2,1-4H3 |
| InChIKey | BLDPWOUVLJDCQB-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C=1(C(=CC=C(C1)COC)OC)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969965 |