| SpectraBase Spectrum ID |
1jw0bIiI1bZ |
| Name |
1-Benzyloxycarbonyl-4-piperidinamine, N-heptafluorobutyryl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.112739553 u |
| Formula |
C17H17F7N2O3 |
| InChI |
InChI=1S/C17H17F7N2O3/c18-15(19,16(20,21)17(22,23)24)13(27)25-12-6-8-26(9-7-12)14(28)29-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,25,27) |
| InChIKey |
RJNOWIMBFJFXJK-UHFFFAOYSA-N |
| Molecular Weight |
430.323 g/mol |
| SMILES |
C1N(CCC(C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801923 |
