| SpectraBase Spectrum ID |
Hh2c7H0OFof |
| Name |
N-(1-(Benzo[D][1,3]dioxol-5-yl)propan-2-yl)-N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.101840517 u |
| Formula |
C16H16F7NO3 |
| InChI |
InChI=1S/C16H16F7NO3/c1-3-24(13(25)14(17,18)15(19,20)16(21,22)23)9(2)6-10-4-5-11-12(7-10)27-8-26-11/h4-5,7,9H,3,6,8H2,1-2H3 |
| InChIKey |
JQMBNVAXVHWHOK-UHFFFAOYSA-N |
| Molecular Weight |
403.297 g/mol |
| SMILES |
C12=C(C=CC(=C2)CC(C)N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)CC)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857556 |
![N-(1-(benzo[d][1,3]dioxol-5-yl)propan-2-yl)-N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide](/api/spectrum/Hh2c7H0OFof/structure.png?h=300&w=458 "N-(1-(benzo[d][1,3]dioxol-5-yl)propan-2-yl)-N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide")
