| SpectraBase Spectrum ID |
LyyBSkwqG9 |
| Name |
2-Methoxybenzylamine, N,N-bis(pentafluoropropionyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.042274781 u |
| Formula |
C14H9F10NO3 |
| InChI |
InChI=1S/C14H9F10NO3/c1-28-8-5-3-2-4-7(8)6-25(9(26)11(15,16)13(19,20)21)10(27)12(17,18)14(22,23)24/h2-5H,6H2,1H3 |
| InChIKey |
NXIPMQKRYRTKSO-UHFFFAOYSA-N |
| Molecular Weight |
429.214 g/mol |
| SMILES |
C1(OC)=C(C=CC=C1)CN(C(C(F)(C(F)(F)F)F)=O)C(=O)C(F)(C(F)(F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818672 |
