| SpectraBase Compound ID | BG8hBf0xVeV |
|---|---|
| InChI | InChI=1S/C9H17ClO3/c1-9(12-2,13-3)8(11)6-4-5-7-10/h4-7H2,1-3H3 |
| InChIKey | JCRNFHCAQHISQP-UHFFFAOYSA-N |
| Mol Weight | 208.68 g/mol |
| Molecular Formula | C9H17ClO3 |
| Exact Mass | 208.086622 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Isryewudqhi |
|---|---|
| Name | 7-Chloro-2,2-dimethoxy-3-heptanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.086622104 u |
| Formula | C9H17ClO3 |
| InChI | InChI=1S/C9H17ClO3/c1-9(12-2,13-3)8(11)6-4-5-7-10/h4-7H2,1-3H3 |
| InChIKey | JCRNFHCAQHISQP-UHFFFAOYSA-N |
| Molecular Weight | 208.685 g/mol |
| SMILES | C(C(=O)CCCCCl)(OC)(OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844502 |