| SpectraBase Spectrum ID |
ACcOp6qs5So |
| Name |
4-(Benzyloxycarbonylamino)piperidine, N,N'-bis(heptafluorobutyryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
626.088651281 u |
| Formula |
C21H16F14N2O4 |
| InChI |
InChI=1S/C21H16F14N2O4/c22-16(23,18(26,27)20(30,31)32)13(38)36-8-6-12(7-9-36)37(15(40)41-10-11-4-2-1-3-5-11)14(39)17(24,25)19(28,29)21(33,34)35/h1-5,12H,6-10H2 |
| InChIKey |
DKLZUSBFUPXDMY-UHFFFAOYSA-N |
| Molecular Weight |
626.347 g/mol |
| SMILES |
C1N(CCC(C1)N(C(=O)OCC1=CC=CC=C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847385 |
