| SpectraBase Compound ID | 3RLFbC3yuFR |
|---|---|
| InChI | InChI=1S/C19H25NO4/c1-2-23-18(21)9-7-5-3-4-6-8-10-19(22)24-17-13-11-16(15-20)12-14-17/h11-14H,2-10H2,1H3 |
| InChIKey | HOIBETSIIPOZNB-UHFFFAOYSA-N |
| Mol Weight | 331.41 g/mol |
| Molecular Formula | C19H25NO4 |
| Exact Mass | 331.178358 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 | 2LRwRA6GWmJ |
|---|---|
| Name | Sebacic acid, 4-cyanophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.178358285 u |
| Formula | C19H25NO4 |
| InChI | InChI=1S/C19H25NO4/c1-2-23-18(21)9-7-5-3-4-6-8-10-19(22)24-17-13-11-16(15-20)12-14-17/h11-14H,2-10H2,1H3 |
| InChIKey | HOIBETSIIPOZNB-UHFFFAOYSA-N |
| Molecular Weight | 331.412 g/mol |
| SMILES | C(CCCCC(OC1=CC=C(C#N)C=C1)=O)CCCC(OCC)=O |