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2-Butyl-4-methylethyl-2-cyclohexen-1-one
SpectraBase Compound ID G1Z0Kvmbc9t
InChI InChI=1S/C13H22O/c1-4-5-6-12-9-11(10(2)3)7-8-13(12)14/h9-11H,4-8H2,1-3H3
InChIKey HKTKJVIYJFYJNS-UHFFFAOYSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GUJz4rHkdvV
Name 2-Butyl-4-methylethyl-2-cyclohexen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.167065327 u
Formula C13H22O
InChI InChI=1S/C13H22O/c1-4-5-6-12-9-11(10(2)3)7-8-13(12)14/h9-11H,4-8H2,1-3H3
InChIKey HKTKJVIYJFYJNS-UHFFFAOYSA-N
Molecular Weight 194.318 g/mol
SMILES C1CC(C(=CC1C(C)C)CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95358