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(+)-(4R,2E)-4-isopropyl-1-phenyl-non-2-en-1-one

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

(+)-(4R,2E)-4-isopropyl-1-phenyl-non-2-en-1-one
SpectraBase Compound ID 2fl8jad9jjM
InChI InChI=1S/C18H26O/c1-4-5-7-10-16(15(2)3)13-14-18(19)17-11-8-6-9-12-17/h6,8-9,11-16H,4-5,7,10H2,1-3H3/b14-13+/t16-/m0/s1
InChIKey FHMZXOJEQIAZAT-VUSFMPOISA-N
Mol Weight 258.4 g/mol
Molecular Formula C18H26O
Exact Mass 258.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FPSdyCKqFl
Name (+)-(4R,2E)-4-isopropyl-1-phenyl-non-2-en-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.198365456 u
Formula C18H26O
InChI InChI=1S/C18H26O/c1-4-5-7-10-16(15(2)3)13-14-18(19)17-11-8-6-9-12-17/h6,8-9,11-16H,4-5,7,10H2,1-3H3/b14-13+/t16-/m0/s1
InChIKey FHMZXOJEQIAZAT-VUSFMPOISA-N
Molecular Weight 258.405 g/mol
SMILES C=1(C(\C=C\[C@@](C(C)C)(CCCCC)[H])=O)C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938974