| SpectraBase Compound ID | 2tUl4WCb8bp |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-4-5-14-22-18(20)12-8-9-13-19(21)24-17-11-7-6-10-16(17)23-15(2)3/h6-7,10-11,15H,4-5,8-9,12-14H2,1-3H3 |
| InChIKey | QRBVRRFYHIRGFA-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 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 | 4UI0cBtHXUs |
|---|---|
| Name | Adipic acid, butyl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.193673997 u |
| Formula | C19H28O5 |
| InChI | InChI=1S/C19H28O5/c1-4-5-14-22-18(20)12-8-9-13-19(21)24-17-11-7-6-10-16(17)23-15(2)3/h6-7,10-11,15H,4-5,8-9,12-14H2,1-3H3 |
| InChIKey | QRBVRRFYHIRGFA-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C(CCC(=O)OC1=CC=CC=C1OC(C)C)CC(OCCCC)=O |