| SpectraBase Spectrum ID |
67HGTUn7N9G |
| Name |
Acetamide, N-[4-[2-(3,4-dihydro-6-hydroxy-2,2,4-trimethyl-2H-1-benzopyran-7-yl)ethyl]phenyl]-2,2,2-trifluoro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.170828123 u |
| Formula |
C22H24F3NO3 |
| InChI |
InChI=1S/C22H24F3NO3/c1-13-12-21(2,3)29-19-10-15(18(27)11-17(13)19)7-4-14-5-8-16(9-6-14)26-20(28)22(23,24)25/h5-6,8-11,13,27H,4,7,12H2,1-3H3,(H,26,28) |
| InChIKey |
AJUJLSZDIGHTAP-UHFFFAOYSA-N |
| Molecular Weight |
407.433 g/mol |
| SMILES |
CC1CC(C)(C)OC2=C1C=C(C(=C2)CCC1=CC=C(C=C1)NC(=O)C(F)(F)F)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804459 |
![Acetamide, N-[4-[2-(3,4-dihydro-6-hydroxy-2,2,4-trimethyl-2H-1-benzopyran-7-yl)ethyl]phenyl]-2,2,2-trifluoro-](/api/spectrum/67HGTUn7N9G/structure.png?h=300&w=458 "Acetamide, N-[4-[2-(3,4-dihydro-6-hydroxy-2,2,4-trimethyl-2H-1-benzopyran-7-yl)ethyl]phenyl]-2,2,2-trifluoro-")
