| SpectraBase Compound ID | DpOGeIttMjD |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-3-9-13-11-7-5-6-8-12(11)14-10-4-2/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | XUIKECLBCZBUCM-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CXBEN2pe2os |
|---|---|
| Name | o-Dipropoxybenzene |
| 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/c1-3-9-13-11-7-5-6-8-12(11)14-10-4-2/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | XUIKECLBCZBUCM-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C=1C(=C(C=CC1)OCCC)OCCC |
| Spectrum/Structure Validation Score (Raman) | 0.932336 |