| SpectraBase Spectrum ID |
JDsF4GbiMks |
| Name |
N-(1-(Benzo[D][1,3]dioxol-5-yl)pentan-2-yl)-2,2,2-trifluoroacetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.108227865 u |
| Formula |
C14H16F3NO3 |
| InChI |
InChI=1S/C14H16F3NO3/c1-2-3-10(18-13(19)14(15,16)17)6-9-4-5-11-12(7-9)21-8-20-11/h4-5,7,10H,2-3,6,8H2,1H3,(H,18,19) |
| InChIKey |
SWJVGEQGJXZFAN-UHFFFAOYSA-N |
| Molecular Weight |
303.281 g/mol |
| SMILES |
C12=C(C=CC(=C2)CC(NC(=O)C(F)(F)F)CCC)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868085 |
![N-(1-(benzo[d][1,3]dioxol-5-yl)pentan-2-yl)-2,2,2-trifluoroacetamide](/api/spectrum/JDsF4GbiMks/structure.png?h=300&w=458 "N-(1-(benzo[d][1,3]dioxol-5-yl)pentan-2-yl)-2,2,2-trifluoroacetamide")
