| SpectraBase Spectrum ID |
8p7VIEBXoYP |
| Name |
Cyclobuta[A]phenanthrene, D-norandrostan-16-one deriv. |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.214015521 u |
| Formula |
C18H28O |
| InChI |
InChI=1S/C18H28O/c1-17-9-4-3-5-12(17)6-7-13-14(17)8-10-18(2)15(13)11-16(18)19/h12-15H,3-11H2,1-2H3/t12-,13?,14?,15?,17?,18-/m1/s1 |
| InChIKey |
LTGFNORYVGSULE-AQEKJHQSSA-N |
| Molecular Weight |
260.421 g/mol |
| SMILES |
C12[C@](CCC3C2CC[C@@]2(C3(C)CCCC2)[H])(C)C(C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958623 |
![Cyclobuta[a]phenanthrene, D-norandrostan-16-one deriv.](/api/spectrum/8p7VIEBXoYP/structure.png?h=300&w=458 "Cyclobuta[a]phenanthrene, D-norandrostan-16-one deriv.")
