| SpectraBase Compound ID | AU2TUxnECmV |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-16(18(20)22-3)14-12-10-8-6-4-5-7-9-11-13-15-17(19)21-2/h16H,4-15H2,1-3H3 |
| InChIKey | NXWDGBULQFQDJZ-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LC9P4962dMs |
|---|---|
| Name | Dimethyl 2-methylpentadecanedioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.245709571 u |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-16(18(20)22-3)14-12-10-8-6-4-5-7-9-11-13-15-17(19)21-2/h16H,4-15H2,1-3H3 |
| InChIKey | NXWDGBULQFQDJZ-UHFFFAOYSA-N |
| SMILES | C(=O)(C(CCCCCCCCCCCCC(=O)OC)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857519 |