| SpectraBase Spectrum ID |
6Re9SNV8whG |
| Name |
Tricyclo[7.3.0.0(3,8)]dodecan-12-one, (Z)-1,9-cisoid-8,9-cis-3,8-11-(but-3-en-1-yl)-2.alpha.-cyano-2.beta.-methyl-9.beta.-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.209264492 u |
| Formula |
C19H27NO |
| InChI |
InChI=1S/C19H27NO/c1-4-5-8-13-11-18(2)14-9-6-7-10-15(14)19(3,12-20)17(18)16(13)21/h4,13-15,17H,1,5-11H2,2-3H3 |
| InChIKey |
DTWVGYWZXMDVGK-UHFFFAOYSA-N |
| SMILES |
C(#N)C1(C)C2CCCCC2C2(C1C(=O)C(CCC=C)C2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863217 |
![Tricyclo[7.3.0.0(3,8)]dodecan-12-one, (Z)-1,9-cisoid-8,9-cis-3,8-11-(but-3-en-1-yl)-2.alpha.-cyano-2.beta.-methyl-9.beta.-methyl-](/api/spectrum/6Re9SNV8whG/structure.png?h=300&w=458 "Tricyclo[7.3.0.0(3,8)]dodecan-12-one, (Z)-1,9-cisoid-8,9-cis-3,8-11-(but-3-en-1-yl)-2.alpha.-cyano-2.beta.-methyl-9.beta.-methyl-")
