| SpectraBase Compound ID | CNDbhss4NCX |
|---|---|
| InChI | InChI=1S/C12H15ClO3/c1-8(13)6-10(14)9-4-5-11(15-2)12(7-9)16-3/h4-5,7-8H,6H2,1-3H3 |
| InChIKey | VAAWZPUDRONZQV-UHFFFAOYSA-N |
| Mol Weight | 242.7 g/mol |
| Molecular Formula | C12H15ClO3 |
| Exact Mass | 242.070972 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KTwbih2ksfB |
|---|---|
| Name | 3-Chloro-3',4'-dimethoxybutyrophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.070972040 u |
| Formula | C12H15ClO3 |
| InChI | InChI=1S/C12H15ClO3/c1-8(13)6-10(14)9-4-5-11(15-2)12(7-9)16-3/h4-5,7-8H,6H2,1-3H3 |
| InChIKey | VAAWZPUDRONZQV-UHFFFAOYSA-N |
| Molecular Weight | 242.702 g/mol |
| SMILES | C1=C(C=C(C(=C1)OC)OC)C(CC(C)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.985655 |