| SpectraBase Spectrum ID |
D2mvPsOOeIf |
| Name |
2,5,5,8A-Tetramethyl-1-cyano-3-(2',2'-ethylenedioxy)-(perhydro)naphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.204179111 u |
| Formula |
C17H27NO2 |
| InChI |
InChI=1S/C17H27NO2/c1-12-13(11-18)16(4)7-5-6-15(2,3)14(16)10-17(12)19-8-9-20-17/h12-14H,5-10H2,1-4H3 |
| InChIKey |
VAVLGVMLJAFLPA-UHFFFAOYSA-N |
| Molecular Weight |
277.408 g/mol |
| SMILES |
C12(CC3C(CCCC3(C(C2C)C#N)C)(C)C)OCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941625 |
