| SpectraBase Compound ID | I992Nid4Wq3 |
|---|---|
| InChI | InChI=1S/C15H17NO4/c1-2-19-14(17)5-3-4-6-15(18)20-13-9-7-12(11-16)8-10-13/h7-10H,2-6H2,1H3 |
| InChIKey | FFEJFUVQPPRMLD-UHFFFAOYSA-N |
| Mol Weight | 275.3 g/mol |
| Molecular Formula | C15H17NO4 |
| Exact Mass | 275.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CU7e3pAiJVb |
|---|---|
| Name | Adipic acid, 4-cyanophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.115758027 u |
| Formula | C15H17NO4 |
| InChI | InChI=1S/C15H17NO4/c1-2-19-14(17)5-3-4-6-15(18)20-13-9-7-12(11-16)8-10-13/h7-10H,2-6H2,1H3 |
| InChIKey | FFEJFUVQPPRMLD-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C=C1)OC(CCCCC(OCC)=O)=O)#N |