| SpectraBase Compound ID | CNc2FG6E4UN |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-5-7-8-11-16(4)22-18(20)13-9-12-17(19)21-14-15(3)10-6-2/h15-16H,5-14H2,1-4H3 |
| InChIKey | HCSXVYGQVRPQDL-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 | 1UPMPdPE52T |
|---|---|
| Name | Glutaric acid, hept-2-yl 2-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/c1-5-7-8-11-16(4)22-18(20)13-9-12-17(19)21-14-15(3)10-6-2/h15-16H,5-14H2,1-4H3 |
| InChIKey | HCSXVYGQVRPQDL-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OCC(CCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985985 |