| SpectraBase Compound ID | 7OzBL2lffKI |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-8-4-9(2)12(10(3)5-8)15-7-11(14)6-13/h4-5,11,13-14H,6-7H2,1-3H3 |
| InChIKey | MJQYZWDGKQHWLS-UHFFFAOYSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1FU1IVdtoej |
|---|---|
| Name | 3-(Mesityloxy)-1,2-propanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-8-4-9(2)12(10(3)5-8)15-7-11(14)6-13/h4-5,11,13-14H,6-7H2,1-3H3 |
| InChIKey | MJQYZWDGKQHWLS-UHFFFAOYSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | OCC(COC1=C(C=C(C=C1C)C)C)O |
| Spectrum/Structure Validation Score (Raman) | 0.993228 |