| SpectraBase Compound ID | 8Q9Wwx4sCgm |
|---|---|
| InChI | InChI=1S/C18H22O5/c1-5-14(4)22-17(19)11-8-12-18(20)23-16-10-7-6-9-15(16)21-13(2)3/h1,6-7,9-10,13-14H,8,11-12H2,2-4H3 |
| InChIKey | LIHDIPIUYUMPDC-UHFFFAOYSA-N |
| Mol Weight | 318.37 g/mol |
| Molecular Formula | C18H22O5 |
| Exact Mass | 318.146724 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 | 6jhs4zUgzd3 |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.146723803 u |
| Formula | C18H22O5 |
| InChI | InChI=1S/C18H22O5/c1-5-14(4)22-17(19)11-8-12-18(20)23-16-10-7-6-9-15(16)21-13(2)3/h1,6-7,9-10,13-14H,8,11-12H2,2-4H3 |
| InChIKey | LIHDIPIUYUMPDC-UHFFFAOYSA-N |
| Molecular Weight | 318.369 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC=1C(=CC=CC1)OC(C)C)=O |