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3-t-Butylhexan-2-one
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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