| SpectraBase Spectrum ID |
4Qu1Ixt4I5H |
| Name |
(S)-(-)-N-(pentafluorobenzylcarbamoyl)-proline methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.068648681 u |
| Formula |
C14H12F5NO4 |
| InChI |
InChI=1S/C14H12F5NO4/c1-23-13(21)7-3-2-4-20(7)14(22)24-5-6-8(15)10(17)12(19)11(18)9(6)16/h7H,2-5H2,1H3/t7-/m0/s1 |
| InChIKey |
IWQILWYWTCURAS-ZETCQYMHSA-N |
| Molecular Weight |
353.245 g/mol |
| SMILES |
C1(=C(C(=C(C(=C1COC(N1CCC[C@]1(C(OC)=O)[H])=O)F)F)F)F)F |
