| SpectraBase Compound ID | 5v3YGOYTFuU |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-5-14-21-16(19)12-10-8-6-7-9-11-13-17(20)22-15-18(2,3)4/h5-15H2,1-4H3 |
| InChIKey | QTLCTUQUDGAMFO-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 | KynV7aUA5wH |
|---|---|
| Name | Sebacic acid, neopentyl propyl 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/c1-5-14-21-16(19)12-10-8-6-7-9-11-13-17(20)22-15-18(2,3)4/h5-15H2,1-4H3 |
| InChIKey | QTLCTUQUDGAMFO-UHFFFAOYSA-N |
| SMILES | C(CCCCCCCC(OCC(C)(C)C)=O)C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.992522 |