| SpectraBase Compound ID | uDgk2DYdWu |
|---|---|
| InChI | InChI=1S/C10H18O4/c1-10(13-7-8-14-10)6-4-3-5-9(11)12-2/h3-8H2,1-2H3 |
| InChIKey | NSNPSDBQQPJHNC-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C10H18O4 |
| Exact Mass | 202.120509 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HdBktPw6aix |
|---|---|
| Name | Methyl-6,6-ethylenedioxy-heptanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.120509056 u |
| Formula | C10H18O4 |
| InChI | InChI=1S/C10H18O4/c1-10(13-7-8-14-10)6-4-3-5-9(11)12-2/h3-8H2,1-2H3 |
| InChIKey | NSNPSDBQQPJHNC-UHFFFAOYSA-N |
| Molecular Weight | 202.250 g/mol |
| SMILES | C(=O)(OC)CCCCC1(C)OCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98735 |