| SpectraBase Compound ID | A9VA6kQLBbi |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-4-10(13)7-9-5-6-11(14-2)12(8-9)15-3/h5-6,8H,4,7H2,1-3H3 |
| InChIKey | PGBQLBXSVSRQPF-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 90SB3mwvS0W |
|---|---|
| Name | 1-(3,4-Dimethoxyphenyl)-2-butanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-4-10(13)7-9-5-6-11(14-2)12(8-9)15-3/h5-6,8H,4,7H2,1-3H3 |
| InChIKey | PGBQLBXSVSRQPF-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C=1C(=CC=C(C1OC)OC)CC(CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.976634 |