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(4aR,5S,8aR)-4a,5-dimethyl-8a-(2-propenyl)-2-decalone

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

(4aR,5S,8aR)-4a,5-dimethyl-8a-(2-propenyl)-2-decalone
SpectraBase Compound ID EVU9dTLmud7
InChI InChI=1S/C15H24O/c1-4-8-15-9-5-6-12(2)14(15,3)10-7-13(16)11-15/h4,12H,1,5-11H2,2-3H3/t12-,14+,15-/m0/s1
InChIKey HXJNOJBKNNYXAI-CFVMTHIKSA-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 8HUIBcYyS0w
Name (4ar,5S,8ar)-4A,5-Dimethyl-8A-(2-propenyl)-2-decalone
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/c1-4-8-15-9-5-6-12(2)14(15,3)10-7-13(16)11-15/h4,12H,1,5-11H2,2-3H3/t12-,14+,15-/m0/s1
InChIKey HXJNOJBKNNYXAI-CFVMTHIKSA-N
Molecular Weight 220.356 g/mol
SMILES [C@@]12([C@@](CC(CC2)=O)(CC=C)CCC[C@@]1(C)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823926