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Trans-4-isopropyl-3-((E)-4-(benzyloxy)butenyl)cyclohexanone

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

Trans-4-isopropyl-3-((E)-4-(benzyloxy)butenyl)cyclohexanone
SpectraBase Compound ID 1nKCub5afqy
InChI InChI=1S/C20H28O2/c1-16(2)20-12-11-19(21)14-18(20)10-6-7-13-22-15-17-8-4-3-5-9-17/h3-6,8-10,16,18,20H,7,11-15H2,1-2H3/b10-6+/t18-,20+/m0/s1
InChIKey JMPUVRYDTDXRAX-MQLVUKKUSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lq3f71W9ei4
Name Trans-4-isopropyl-3-((E)-4-(benzyloxy)butenyl)cyclohexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.208930140 u
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-16(2)20-12-11-19(21)14-18(20)10-6-7-13-22-15-17-8-4-3-5-9-17/h3-6,8-10,16,18,20H,7,11-15H2,1-2H3/b10-6+/t18-,20+/m0/s1
InChIKey JMPUVRYDTDXRAX-MQLVUKKUSA-N
SMILES [C@@]1([C@](CCC(C1)=O)(C(C)C)[H])(\C=C\CCOCC1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920583