SpectraBase Compound ID | 35v7GyCs2ME |
---|---|
InChI | InChI=1S/C10H20O/c1-6-7-9(8(2)11)10(3,4)5/h9H,6-7H2,1-5H3 |
InChIKey | JOVFKGOQUOXTBX-UHFFFAOYSA-N |
Mol Weight | 156.27 g/mol |
Molecular Formula | C10H20O |
Exact Mass | 156.151415 g/mol |
SpectraBase Spectrum ID | SDo8OSBTUp |
---|---|
Name | 3-T-Butylhexan-2-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 156.151415263 u |
Formula | C10H20O |
InChI | InChI=1S/C10H20O/c1-6-7-9(8(2)11)10(3,4)5/h9H,6-7H2,1-5H3 |
InChIKey | JOVFKGOQUOXTBX-UHFFFAOYSA-N |
Molecular Weight | 156.269 g/mol |
SMILES | C(=O)(C(C(C)(C)C)CCC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97633 |