| SpectraBase Compound ID | CjjqZObIs3B |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-3-8-11(4-2)17-13(16)10-7-5-6-9-12(14)15/h11H,3-10H2,1-2H3,(H,14,15) |
| InChIKey | GLQJFIGSDYWSNW-UHFFFAOYSA-N |
| Mol Weight | 244.33 g/mol |
| Molecular Formula | C13H24O4 |
| Exact Mass | 244.167459 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | D7MV6LVvYga |
|---|---|
| Name | Pimelic acid, hex-3-yl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H24O4 |
| InChI | InChI=1S/C13H24O4/c1-3-8-11(4-2)17-13(16)10-7-5-6-9-12(14)15/h11H,3-10H2,1-2H3,(H,14,15) |
| InChIKey | GLQJFIGSDYWSNW-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | OC(CCCCCC(OC(CCC)CC)=O)=O |
| SPLASH | splash10-0006-7900000000-d2d26a86c5ffd6ca3802 |
| Source of Spectrum | TIPS-2022-974-0 |
| Wiley ID | 1822491 |