| SpectraBase Compound ID | AMJnGKmFFRi |
|---|---|
| InChI | InChI=1S/C18H16O5/c1-22-17(20)15(18(21)23-2)13-9-6-10-14(11-13)16(19)12-7-4-3-5-8-12/h3-11,15H,1-2H3 |
| InChIKey | HMOGVKXTHSYRTG-UHFFFAOYSA-N |
| Mol Weight | 312.32 g/mol |
| Molecular Formula | C18H16O5 |
| Exact Mass | 312.099774 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 | CfLkH3X40AW |
|---|---|
| Name | Dimethyl 2-(3'-benzoyl)phenylpropanedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.099773610 u |
| Formula | C18H16O5 |
| InChI | InChI=1S/C18H16O5/c1-22-17(20)15(18(21)23-2)13-9-6-10-14(11-13)16(19)12-7-4-3-5-8-12/h3-11,15H,1-2H3 |
| InChIKey | HMOGVKXTHSYRTG-UHFFFAOYSA-N |
| SMILES | C(C=1C=C(C(=O)C2=CC=CC=C2)C=CC1)(C(=O)OC)C(=O)OC |