| SpectraBase Spectrum ID |
4MVAzz9inJM |
| Name |
(1S*,5R*,13S*,14R*)-1-Hydroxy-13-(hydroxymethyl)tricyclo[11.1.1.0(5,14)]]pentadecane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.208930140 u |
| Formula |
C16H28O2 |
| InChI |
InChI=1S/C16H28O2/c17-12-15-9-5-3-1-2-4-7-13-8-6-10-16(18,11-15)14(13)15/h13-14,17-18H,1-12H2/t13-,14-,15-,16+/m1/s1 |
| InChIKey |
ZGHIIWVRVQMOJQ-FPCVCCKLSA-N |
| Molecular Weight |
252.398 g/mol |
| SMILES |
[C@]12([C@@]3([C@@](CCCCCCC[C@@]3(C2)CO)([H])CCC1)[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918897 |
![(1S*,5R*,13S*,14R*)-1-Hydroxy-13-(hydroxymethyl)tricyclo[11.1.1.0(5,14)]]pentadecane](/api/spectrum/4MVAzz9inJM/structure.png?h=300&w=458 "(1S*,5R*,13S*,14R*)-1-Hydroxy-13-(hydroxymethyl)tricyclo[11.1.1.0(5,14)]]pentadecane")
