| SpectraBase Compound ID | 2RemoEc3AxP |
|---|---|
| InChI | InChI=1S/C15H18F3NO3/c1-3-4-9-22-13(20)10-19(2)14(21)11-7-5-6-8-12(11)15(16,17)18/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | NIKXWMALAQVBGD-UHFFFAOYSA-N |
| Mol Weight | 317.31 g/mol |
| Molecular Formula | C15H18F3NO3 |
| Exact Mass | 317.123878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5eaEP4BIt9M |
|---|---|
| Name | Sarcosine, N-(2-trifluoromethylbenzoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.123877930 u |
| Formula | C15H18F3NO3 |
| InChI | InChI=1S/C15H18F3NO3/c1-3-4-9-22-13(20)10-19(2)14(21)11-7-5-6-8-12(11)15(16,17)18/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | NIKXWMALAQVBGD-UHFFFAOYSA-N |
| Molecular Weight | 317.308 g/mol |
| SMILES | C1(=CC=CC=C1C(N(C)CC(OCCCC)=O)=O)C(F)(F)F |