| SpectraBase Compound ID | LAnjLbNYdYg |
|---|---|
| InChI | InChI=1S/C10H22O3/c1-11-8-6-4-5-7-10(13-3)9-12-2/h10H,4-9H2,1-3H3 |
| InChIKey | ILPAVCQQBMVHQL-UHFFFAOYSA-N |
| Mol Weight | 190.28 g/mol |
| Molecular Formula | C10H22O3 |
| Exact Mass | 190.156895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | cyGQnfQ3wZ |
|---|---|
| Name | 1,2,7-Trimethoxyheptane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.156894565 u |
| Formula | C10H22O3 |
| InChI | InChI=1S/C10H22O3/c1-11-8-6-4-5-7-10(13-3)9-12-2/h10H,4-9H2,1-3H3 |
| InChIKey | ILPAVCQQBMVHQL-UHFFFAOYSA-N |
| Molecular Weight | 190.283 g/mol |
| SMILES | COCCCCCC(COC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852399 |