| SpectraBase Compound ID | B1pNyQkzY7y |
|---|---|
| InChI | InChI=1S/C17H30O5/c1-4-13-21-16(19)11-9-7-5-6-8-10-12-17(20)22-15(3)14(2)18/h15H,4-13H2,1-3H3 |
| InChIKey | HALMSEXUASPVKU-UHFFFAOYSA-N |
| Mol Weight | 314.42 g/mol |
| Molecular Formula | C17H30O5 |
| Exact Mass | 314.209324 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | K1S0kCDl9wv |
|---|---|
| Name | Sebacic acid, 3-oxobut-2-yl propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.209324061 u |
| Formula | C17H30O5 |
| InChI | InChI=1S/C17H30O5/c1-4-13-21-16(19)11-9-7-5-6-8-10-12-17(20)22-15(3)14(2)18/h15H,4-13H2,1-3H3 |
| InChIKey | HALMSEXUASPVKU-UHFFFAOYSA-N |
| SMILES | C(OC(CCCCCCCCC(OCCC)=O)=O)(C(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978563 |