| SpectraBase Compound ID | EJ1AlmLDs7l |
|---|---|
| InChI | InChI=1S/C16H23NO3/c1-11(2)6-5-9-20-16(19)15(18)17-14-8-7-12(3)13(4)10-14/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18) |
| InChIKey | ZWFIJOOXLNJPHY-UHFFFAOYSA-N |
| Mol Weight | 277.36 g/mol |
| Molecular Formula | C16H23NO3 |
| Exact Mass | 277.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Cn2bglIPRH |
|---|---|
| Name | Oxalic acid, monoamide, N-(3,4-dimethylphenyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.167793602 u |
| Formula | C16H23NO3 |
| InChI | InChI=1S/C16H23NO3/c1-11(2)6-5-9-20-16(19)15(18)17-14-8-7-12(3)13(4)10-14/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18) |
| InChIKey | ZWFIJOOXLNJPHY-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC(=C1)NC(C(OCCCC(C)C)=O)=O)C)C |