| SpectraBase Spectrum ID |
J5UimEkv6SP |
| Name |
D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, undecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
433.224006511 u |
| Formula |
C22H31F4NO3 |
| InChI |
InChI=1S/C22H31F4NO3/c1-3-4-5-6-7-8-9-10-11-12-30-21(29)16(2)27-20(28)17-13-18(22(24,25)26)15-19(23)14-17/h13-16H,3-12H2,1-2H3,(H,27,28) |
| InChIKey |
OWWBAHNFHMLXII-UHFFFAOYSA-N |
| Molecular Weight |
433.488 g/mol |
| SMILES |
C(NC(=O)C1=CC(C(F)(F)F)=CC(=C1)F)(C(OCCCCCCCCCCC)=O)C |
