| SpectraBase Spectrum ID |
7wHVBC3RfBb |
| Name |
6-Cyano-4-methyl-5-(3-cyano-1-methylpropylidene)-11-ethoxy-12-oxatricyclo[7.3.0.0(4,8)]dodecane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.215078148 u |
| Formula |
C20H28N2O2 |
| InChI |
InChI=1S/C20H28N2O2/c1-4-23-18-11-15-16-10-14(12-22)19(13(2)6-5-9-21)20(16,3)8-7-17(15)24-18/h14-18H,4-8,10-11H2,1-3H3/b19-13-/t14?,15-,16-,17+,18?,20-/m0/s1 |
| InChIKey |
YBUNFMLAHBTADA-IGORQCQKSA-N |
| Molecular Weight |
328.456 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC(OCC)O[C@@]3(CC2)[H])[H])(CC(\C1=C/(CCC#N)C)C#N)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895651 |
![6-Cyano-4-methyl-5-(3-cyano-1-methylpropylidene)-11-ethoxy-12-oxatricyclo[7.3.0.0(4,8)]dodecane](/api/spectrum/7wHVBC3RfBb/structure.png?h=300&w=458 "6-Cyano-4-methyl-5-(3-cyano-1-methylpropylidene)-11-ethoxy-12-oxatricyclo[7.3.0.0(4,8)]dodecane")
