| SpectraBase Compound ID | 44j3A2Bms5u |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-5-15(3)11-13-21-17(19)9-7-8-10-18(20)22-14-12-16(4)6-2/h15-16H,5-14H2,1-4H3 |
| InChIKey | DUPXCDVAINBDOS-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 | BDGIIrSWa32 |
|---|---|
| Name | Adipic acid, di(3-methylpentyl) ester |
| 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/c1-5-15(3)11-13-21-17(19)9-7-8-10-18(20)22-14-12-16(4)6-2/h15-16H,5-14H2,1-4H3 |
| InChIKey | DUPXCDVAINBDOS-UHFFFAOYSA-N |
| SMILES | C(C(OCCC(C)CC)=O)CCCC(OCCC(C)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.99011 |