| SpectraBase Compound ID | 3hDGbS2010x |
|---|---|
| InChI | InChI=1S/C13H15ClO4/c1-17-12(15)10(13(16)18-2)8-11(14)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3 |
| InChIKey | QPPYQQXJLBMPKH-UHFFFAOYSA-N |
| Mol Weight | 270.71 g/mol |
| Molecular Formula | C13H15ClO4 |
| Exact Mass | 270.065887 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GnA6jwWHkBF |
|---|---|
| Name | Dimethyl 2-(2'-chloro-2'-phenylethyl)-malonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.065886659 u |
| Formula | C13H15ClO4 |
| InChI | InChI=1S/C13H15ClO4/c1-17-12(15)10(13(16)18-2)8-11(14)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3 |
| InChIKey | QPPYQQXJLBMPKH-UHFFFAOYSA-N |
| SMILES | C(CC(C1=CC=CC=C1)Cl)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969874 |