| SpectraBase Compound ID | QslB1oE0S7 |
|---|---|
| InChI | InChI=1S/C16H22FNO3/c1-12(2)7-6-10-21-15(19)11-18(3)16(20)13-8-4-5-9-14(13)17/h4-5,8-9,12H,6-7,10-11H2,1-3H3 |
| InChIKey | PINQMOVQVPGXRE-UHFFFAOYSA-N |
| Mol Weight | 295.35 g/mol |
| Molecular Formula | C16H22FNO3 |
| Exact Mass | 295.158372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6MR2InKiwLS |
|---|---|
| Name | Sarcosine, N-(2-fluorobenzoyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.158371732 u |
| Formula | C16H22FNO3 |
| InChI | InChI=1S/C16H22FNO3/c1-12(2)7-6-10-21-15(19)11-18(3)16(20)13-8-4-5-9-14(13)17/h4-5,8-9,12H,6-7,10-11H2,1-3H3 |
| InChIKey | PINQMOVQVPGXRE-UHFFFAOYSA-N |
| Molecular Weight | 295.354 g/mol |
| SMILES | C1=CC=CC(=C1C(N(CC(OCCCC(C)C)=O)C)=O)F |