| SpectraBase Spectrum ID |
1OXbfNHVOd6 |
| Name |
N-(2-(Benzo[D][1,3]dioxol-5-yl)ethyl)-2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide |
| 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/c1-2-6-24(13(25)14(17,18)15(19,20)16(21,22)23)7-5-10-3-4-11-12(8-10)27-9-26-11/h3-4,8H,2,5-7,9H2,1H3 |
| InChIKey |
OKIWQHXJSAZZIO-UHFFFAOYSA-N |
| Molecular Weight |
403.297 g/mol |
| SMILES |
C12=C(C=CC(=C2)CCN(CCC)C(=O)C(C(C(F)(F)F)(F)F)(F)F)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831847 |
![N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide](/api/spectrum/1OXbfNHVOd6/structure.png?h=300&w=458 "N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide")
