| SpectraBase Spectrum ID |
1gc6xHuAMwX |
| Name |
(2rs,3rs)-2-Methyl-3-[(1rs)-1,5-dimethyl-hexyl]-cyclopentanone;(vitamin-D-derivative) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.198365456 u |
| Formula |
C14H26O |
| InChI |
InChI=1S/C14H26O/c1-10(2)6-5-7-11(3)13-8-9-14(15)12(13)4/h10-13H,5-9H2,1-4H3/t11-,12-,13-/m1/s1 |
| InChIKey |
UENLQYRSTREKIY-JHJVBQTASA-N |
| Molecular Weight |
210.361 g/mol |
| SMILES |
C1(=O)[C@@]([C@](CC1)([C@@](CCCC(C)C)(C)[H])[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949781 |
![(2rs,3rs)-2-Methyl-3-[(1rs)-1,5-dimethyl-hexyl]-cyclopentanone;(vitamin-D-derivative)](/api/spectrum/1gc6xHuAMwX/structure.png?h=300&w=458 "(2rs,3rs)-2-Methyl-3-[(1rs)-1,5-dimethyl-hexyl]-cyclopentanone;(vitamin-D-derivative)")
