| SpectraBase Compound ID | 9EAPecEUmhm |
|---|---|
| InChI | InChI=1S/C18H17NO5/c20-17(13-14-5-2-1-3-6-14)7-4-12-24-18(21)15-8-10-16(11-9-15)19(22)23/h1-3,5-6,8-11H,4,7,12-13H2 |
| InChIKey | NYYVHZPOTPAGSX-UHFFFAOYSA-N |
| Mol Weight | 327.34 g/mol |
| Molecular Formula | C18H17NO5 |
| Exact Mass | 327.110673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1FAPE1uu2Nr |
|---|---|
| Name | 5-Phenyl-4-pentanone-p-nitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.110672646 u |
| Formula | C18H17NO5 |
| InChI | InChI=1S/C18H17NO5/c20-17(13-14-5-2-1-3-6-14)7-4-12-24-18(21)15-8-10-16(11-9-15)19(22)23/h1-3,5-6,8-11H,4,7,12-13H2 |
| InChIKey | NYYVHZPOTPAGSX-UHFFFAOYSA-N |
| Molecular Weight | 327.336 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(C(=O)OCCCC(=O)CC2=CC=CC=C2)C=C1 |