SpectraBase Compound ID | Ir2khqNDchU |
---|---|
InChI | InChI=1S/C14H28/c1-6-8-9-10-11-12-13(7-2)14(3,4)5/h7,13H,2,6,8-12H2,1,3-5H3 |
InChIKey | RDISCVBNNQSUDT-UHFFFAOYSA-N |
Mol Weight | 196.38 g/mol |
Molecular Formula | C14H28 |
Exact Mass | 196.219101 g/mol |
SpectraBase Spectrum ID | HpqF866ThVm |
---|---|
Name | 3-Tert-butyl-1-decene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 196.219100902 u |
Formula | C14H28 |
InChI | InChI=1S/C14H28/c1-6-8-9-10-11-12-13(7-2)14(3,4)5/h7,13H,2,6,8-12H2,1,3-5H3 |
InChIKey | RDISCVBNNQSUDT-UHFFFAOYSA-N |
Molecular Weight | 196.378 g/mol |
SMILES | C(C(C=C)CCCCCCC)(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949294 |