| SpectraBase Spectrum ID |
BD9OmFKK1E2 |
| Name |
1-[4-(4-Tert-butyl-spirocyclohexyl)-11-oxa-3-aza-tricyclo[6.2.1.0(1,6)]undec-9-en-3-yl]-2,2,2-trifluoro-ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.207213633 u |
| Formula |
C20H28F3NO2 |
| InChI |
InChI=1S/C20H28F3NO2/c1-17(2,3)13-4-7-18(8-5-13)11-14-10-15-6-9-19(14,26-15)12-24(18)16(25)20(21,22)23/h6,9,13-15H,4-5,7-8,10-12H2,1-3H3 |
| InChIKey |
AHCMEZYWIBXQQO-UHFFFAOYSA-N |
| Molecular Weight |
371.444 g/mol |
| SMILES |
C1=CC2CC3C1(CN(C(=O)C(F)(F)F)C1(C3)CCC(C(C)(C)C)CC1)O2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81522 |
![1-[4-(4-Tert-butyl-spirocyclohexyl)-11-oxa-3-aza-tricyclo[6.2.1.0(1,6)]undec-9-en-3-yl]-2,2,2-trifluoro-ethanone](/api/spectrum/BD9OmFKK1E2/structure.png?h=300&w=458 "1-[4-(4-Tert-butyl-spirocyclohexyl)-11-oxa-3-aza-tricyclo[6.2.1.0(1,6)]undec-9-en-3-yl]-2,2,2-trifluoro-ethanone")
