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(3S,4R)-4-Isobutyl-3-(1-isobutylvinyl)cyclopentanone

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(3S,4R)-4-Isobutyl-3-(1-isobutylvinyl)cyclopentanone
SpectraBase Compound ID 1xyUcDRu2z0
InChI InChI=1S/C15H26O/c1-10(2)6-12(5)15-9-14(16)8-13(15)7-11(3)4/h10-11,13,15H,5-9H2,1-4H3/t13-,15-/m1/s1
InChIKey IZBUFYCVSLNYSH-UKRRQHHQSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8jWigbgeYZe
Name (3S,4R)-4-Isobutyl-3-(1-isobutylvinyl)cyclopentanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.198365456 u
Formula C15H26O
InChI InChI=1S/C15H26O/c1-10(2)6-12(5)15-9-14(16)8-13(15)7-11(3)4/h10-11,13,15H,5-9H2,1-4H3/t13-,15-/m1/s1
InChIKey IZBUFYCVSLNYSH-UKRRQHHQSA-N
Molecular Weight 222.372 g/mol
SMILES C([C@@]1([C@@](CC(C1)=O)(CC(C)C)[H])[H])(CC(C)C)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955494