| SpectraBase Compound ID | 2WPAZLtZrFz |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-4-7-8-9-12-16(6-3)22-18(20)14-11-10-13-17(19)21-15-5-2/h16H,4-7,10-15H2,1-3H3 |
| InChIKey | HJLFORLROSKUDN-UHFFFAOYSA-N |
| Mol Weight | 310.43 g/mol |
| Molecular Formula | C18H30O4 |
| Exact Mass | 310.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KnCW6G1joIY |
|---|---|
| Name | Adipic acid, non-5-yn-3-yl propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.214409442 u |
| Formula | C18H30O4 |
| InChI | InChI=1S/C18H30O4/c1-4-7-8-9-12-16(6-3)22-18(20)14-11-10-13-17(19)21-15-5-2/h16H,4-7,10-15H2,1-3H3 |
| InChIKey | HJLFORLROSKUDN-UHFFFAOYSA-N |
| SMILES | C(C(=O)OC(CC#CCCC)CC)CCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973422 |