| SpectraBase Compound ID | DadVSCELu4n |
|---|---|
| InChI | InChI=1S/C12H26O2/c1-5-9-10-11(6-2)12(13-7-3)14-8-4/h11-12H,5-10H2,1-4H3 |
| InChIKey | YAKJLGHDDRZRSJ-UHFFFAOYSA-N |
| Mol Weight | 202.34 g/mol |
| Molecular Formula | C12H26O2 |
| Exact Mass | 202.19328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EKSEX2bekIB |
|---|---|
| Name | 3-(Diethoxymethyl)heptane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.193280075 u |
| Formula | C12H26O2 |
| InChI | InChI=1S/C12H26O2/c1-5-9-10-11(6-2)12(13-7-3)14-8-4/h11-12H,5-10H2,1-4H3 |
| InChIKey | YAKJLGHDDRZRSJ-UHFFFAOYSA-N |
| Molecular Weight | 202.338 g/mol |
| SMILES | C(C(CC)CCCC)(OCC)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955048 |