acetate](/api/spectrum/AehT2rDSODi/structure.png?h=300&w=458 "Methyl [(cyclohexylcarbonyl)amino](phenyl)acetate")
| SpectraBase Compound ID | FVxyBxCwymr |
|---|---|
| InChI | InChI=1S/C16H21NO3/c1-20-16(19)14(12-8-4-2-5-9-12)17-15(18)13-10-6-3-7-11-13/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3,(H,17,18) |
| InChIKey | KQXSWQMJPILICT-UHFFFAOYSA-N |
| Mol Weight | 275.35 g/mol |
| Molecular Formula | C16H21NO3 |
| Exact Mass | 275.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AehT2rDSODi |
|---|---|
| Name | Methyl [(cyclohexylcarbonyl)amino](phenyl)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.152143537 u |
| Formula | C16H21NO3 |
| InChI | InChI=1S/C16H21NO3/c1-20-16(19)14(12-8-4-2-5-9-12)17-15(18)13-10-6-3-7-11-13/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3,(H,17,18) |
| InChIKey | KQXSWQMJPILICT-UHFFFAOYSA-N |
| Molecular Weight | 275.348 g/mol |
| SMILES | N(C(=O)C1CCCCC1)C(C(=O)OC)C1=CC=CC=C1 |