| SpectraBase Compound ID | Js5GK9gNyZW |
|---|---|
| InChI | InChI=1S/C23H22O4/c1-23(2,3)15-26-21(24)19-10-6-7-11-20(19)22(25)27-18-13-12-16-8-4-5-9-17(16)14-18/h4-14H,15H2,1-3H3 |
| InChIKey | ZZQHSHWHAXDDGT-UHFFFAOYSA-N |
| Mol Weight | 362.43 g/mol |
| Molecular Formula | C23H22O4 |
| Exact Mass | 362.151809 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 | 9ve38ua0eiR |
|---|---|
| Name | Phthalic acid, 2-naphthyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.151809184 u |
| Formula | C23H22O4 |
| InChI | InChI=1S/C23H22O4/c1-23(2,3)15-26-21(24)19-10-6-7-11-20(19)22(25)27-18-13-12-16-8-4-5-9-17(16)14-18/h4-14H,15H2,1-3H3 |
| InChIKey | ZZQHSHWHAXDDGT-UHFFFAOYSA-N |
| Molecular Weight | 362.425 g/mol |
| SMILES | C1=C(C(=CC=C1)C(OC1=CC=C2C=CC=CC2=C1)=O)C(OCC(C)(C)C)=O |