| SpectraBase Spectrum ID |
LCP4tFTlyRM |
| Name |
(1R*,2R*)-2-(4-Fluorophenyl)-7,10-dioxadispiro[2.2.4.2]dodecane-1-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.132156985 u |
| Formula |
C17H18FNO2 |
| InChI |
InChI=1S/C17H18FNO2/c18-13-3-1-12(2-4-13)15-14(11-19)16(15)5-7-17(8-6-16)20-9-10-21-17/h1-4,14-15H,5-10H2/t14-,15+/m1/s1 |
| InChIKey |
CDZBCTGFCMIOAI-CABCVRRESA-N |
| Molecular Weight |
287.334 g/mol |
| SMILES |
C12([C@](C#N)([C@@]2(C=2C=CC(=CC2)F)[H])[H])CCC2(CC1)OCCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912466 |
![(1R*,2R*)-2-(4-Fluorophenyl)-7,10-dioxadispiro[2.2.4.2]dodecane-1-carbonitrile](/api/spectrum/LCP4tFTlyRM/structure.png?h=300&w=458 "(1R*,2R*)-2-(4-Fluorophenyl)-7,10-dioxadispiro[2.2.4.2]dodecane-1-carbonitrile")
