| SpectraBase Compound ID | BIbxOMcSSpf |
|---|---|
| InChI | InChI=1S/C18H25NO4/c1-13(2)12-23-18(21)14-7-9-19(10-8-14)17(20)15-5-4-6-16(11-15)22-3/h4-6,11,13-14H,7-10,12H2,1-3H3 |
| InChIKey | DJMNMFDEFIWKBA-UHFFFAOYSA-N |
| Mol Weight | 319.4 g/mol |
| Molecular Formula | C18H25NO4 |
| Exact Mass | 319.178358 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 | d7u2A8Fwn8 |
|---|---|
| Name | Isonipecotic acid, N-(3-methoxybenzoyl)-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.178358285 u |
| Formula | C18H25NO4 |
| InChI | InChI=1S/C18H25NO4/c1-13(2)12-23-18(21)14-7-9-19(10-8-14)17(20)15-5-4-6-16(11-15)22-3/h4-6,11,13-14H,7-10,12H2,1-3H3 |
| InChIKey | DJMNMFDEFIWKBA-UHFFFAOYSA-N |
| Molecular Weight | 319.401 g/mol |
| SMILES | COC1=CC=CC(=C1)C(N1CCC(C(OCC(C)C)=O)CC1)=O |