| SpectraBase Compound ID | 3th906Nh50e |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-6-7-9-15(3)22-18(20)12-13-19(21)23-17-11-8-10-16(5-2)14-17/h8,10-11,14-15H,4-7,9,12-13H2,1-3H3 |
| InChIKey | YRCGMNXNORACAC-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 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 | Lp8FeYkmxwc |
|---|---|
| Name | Succinic acid, hept-2-yl 3-ethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-4-6-7-9-15(3)22-18(20)12-13-19(21)23-17-11-8-10-16(5-2)14-17/h8,10-11,14-15H,4-7,9,12-13H2,1-3H3 |
| InChIKey | YRCGMNXNORACAC-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OC1=CC(=CC=C1)CC)=O |