| SpectraBase Compound ID | BIAdaST7Thw |
|---|---|
| InChI | InChI=1S/C18H31ClO4/c1-2-3-9-15-22-17(20)12-11-13-18(21)23-16-10-7-5-4-6-8-14-19/h3,9H,2,4-8,10-16H2,1H3/b9-3+ |
| InChIKey | HCSRNLUOMWHIFL-YCRREMRBSA-N |
| Mol Weight | 346.9 g/mol |
| Molecular Formula | C18H31ClO4 |
| Exact Mass | 346.191087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9NaZMiyxP3n |
|---|---|
| Name | Glutaric acid, pent-2-en-1-yl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.191087174 u |
| Formula | C18H31ClO4 |
| InChI | InChI=1S/C18H31ClO4/c1-2-3-9-15-22-17(20)12-11-13-18(21)23-16-10-7-5-4-6-8-14-19/h3,9H,2,4-8,10-16H2,1H3/b9-3+ |
| InChIKey | HCSRNLUOMWHIFL-YCRREMRBSA-N |
| Molecular Weight | 346.895 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OC\C=C\CC)=O |