| SpectraBase Spectrum ID |
8th4IKXRlI4 |
| Name |
(4S,8R/S)-Methyl-4,8-dimethyldecanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.193280075 u |
| Formula |
C13H26O2 |
| InChI |
InChI=1S/C13H26O2/c1-5-11(2)7-6-8-12(3)9-10-13(14)15-4/h11-12H,5-10H2,1-4H3/t11?,12-/m0/s1 |
| InChIKey |
NJCSCEWLPPUTAC-KIYNQFGBSA-N |
| Molecular Weight |
214.349 g/mol |
| SMILES |
C(C)C(CCC[C@@](CCC(=O)OC)(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967851 |
