| SpectraBase Compound ID | 6rjsJhtCkcs |
|---|---|
| InChI | InChI=1S/C16H20F3NO3/c1-3-4-5-10-23-14(21)11-20(2)15(22)12-6-8-13(9-7-12)16(17,18)19/h6-9H,3-5,10-11H2,1-2H3 |
| InChIKey | FRMWCESCCWPBDZ-UHFFFAOYSA-N |
| Mol Weight | 331.34 g/mol |
| Molecular Formula | C16H20F3NO3 |
| Exact Mass | 331.139528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | RlLAHQOPBU |
|---|---|
| Name | Sarcosine, N-(4-trifluoromethylbenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.139527994 u |
| Formula | C16H20F3NO3 |
| InChI | InChI=1S/C16H20F3NO3/c1-3-4-5-10-23-14(21)11-20(2)15(22)12-6-8-13(9-7-12)16(17,18)19/h6-9H,3-5,10-11H2,1-2H3 |
| InChIKey | FRMWCESCCWPBDZ-UHFFFAOYSA-N |
| Molecular Weight | 331.335 g/mol |
| SMILES | C(N(C(=O)C1=CC=C(C(F)(F)F)C=C1)C)C(OCCCCC)=O |