| SpectraBase Spectrum ID |
79m990Q87RQ |
| Name |
(1R*,2S*)-2-(p-4-Methoxyphenyl)-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 |
299.152143537 u |
| Formula |
C18H21NO3 |
| InChI |
InChI=1S/C18H21NO3/c1-20-14-4-2-13(3-5-14)16-15(12-19)17(16)6-8-18(9-7-17)21-10-11-22-18/h2-5,15-16H,6-11H2,1H3/t15-,16+/m1/s1 |
| InChIKey |
XXKVIMDWVLQFJV-CVEARBPZSA-N |
| SMILES |
C12([C@](C#N)([C@@]2(C=2C=CC(=CC2)OC)[H])[H])CCC2(CC1)OCCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89845 |
![(1R*,2S*)-2-(p-4-Methoxyphenyl)-7,10-dioxadispiro[2.2.4.2]dodecane-1-carbonitrile](/api/spectrum/79m990Q87RQ/structure.png?h=300&w=458 "(1R*,2S*)-2-(p-4-Methoxyphenyl)-7,10-dioxadispiro[2.2.4.2]dodecane-1-carbonitrile")
