| SpectraBase Spectrum ID |
1emV61LK4zX |
| Name |
(6A.alpha.,10A.beta.)-1,2,3,4,5,6,6A,7,8,9,10,10A-Dodecahydro-4-methyl-chrysene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.203450837 u |
| Formula |
C19H26 |
| InChI |
InChI=1S/C19H26/c1-13-5-4-7-15-10-11-17-16-8-3-2-6-14(16)9-12-18(17)19(13)15/h10-11,13-14,16H,2-9,12H2,1H3/t13?,14-,16+/m1/s1 |
| InChIKey |
VLXBHTSZJOFQJP-VVRWDSKXSA-N |
| Molecular Weight |
254.417 g/mol |
| SMILES |
C12=C([C@]3(CCCC[C@@]3(CC2)[H])[H])C=CC2=C1C(CCC2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809296 |
