| SpectraBase Compound ID | ARr2yMXGizn |
|---|---|
| InChI | InChI=1S/C18H15NO4/c1-12(2)22-17(20)15-5-3-4-6-16(15)18(21)23-14-9-7-13(11-19)8-10-14/h3-10,12H,1-2H3 |
| InChIKey | LMOUHHKDDTYQOX-UHFFFAOYSA-N |
| Mol Weight | 309.32 g/mol |
| Molecular Formula | C18H15NO4 |
| Exact Mass | 309.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LaYkQbiSJNH |
|---|---|
| Name | Phthalic acid, 4-cyanophenyl 2-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.100107963 u |
| Formula | C18H15NO4 |
| InChI | InChI=1S/C18H15NO4/c1-12(2)22-17(20)15-5-3-4-6-16(15)18(21)23-14-9-7-13(11-19)8-10-14/h3-10,12H,1-2H3 |
| InChIKey | LMOUHHKDDTYQOX-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1)C(OC(C)C)=O)C(OC1=CC=C(C#N)C=C1)=O |