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1-Isobutyl-4,9-dimethylbicyclo(3.2.2)non-6-en-2-one

View entire compound with spectra: 1 FTIR

1-Isobutyl-4,9-dimethylbicyclo(3.2.2)non-6-en-2-one
SpectraBase Compound ID D8ASriCFS7g
InChI InChI=1S/C15H24O/c1-10(2)8-15-6-5-13(12(4)9-15)11(3)7-14(15)16/h5-6,10-13H,7-9H2,1-4H3/t11-,12?,13-,15+/m1/s1
InChIKey UNRSPCPGOKWMSY-AEAWKSJYSA-N
Mol Weight 220.36 g/mol
Molecular Formula C15H24O
Exact Mass 220.182715 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GYpRLTsqwaw
Name 1-Isobutyl-4,9-dimethylbicyclo(3.2.2)non-6-en-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.182715392 u
Formula C15H24O
InChI InChI=1S/C15H24O/c1-10(2)8-15-6-5-13(12(4)9-15)11(3)7-14(15)16/h5-6,10-13H,7-9H2,1-4H3/t11-,12?,13-,15+/m1/s1
InChIKey UNRSPCPGOKWMSY-AEAWKSJYSA-N
Molecular Weight 220.356 g/mol
SMILES [C@@]12(C(C[C@]([C@@](C=C2)(C(C1)C)[H])(C)[H])=O)CC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957803