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Menoctone

View entire compound with spectra: 1 NMR, and 1 FTIR

Menoctone
SpectraBase Compound ID FsHfNzAWOZ8
InChI InChI=1S/C24H32O3/c25-22-19-15-10-11-16-20(19)23(26)24(27)21(22)17-9-4-2-1-3-6-12-18-13-7-5-8-14-18/h10-11,15-16,18,27H,1-9,12-14,17H2
InChIKey MGDIRAXSDLCQGC-UHFFFAOYSA-N
Mol Weight 368.5 g/mol
Molecular Formula C24H32O3
Exact Mass 368.235145 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DSX49GRphPU
Name Menoctone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.235144887 u
Formula C24H32O3
InChI InChI=1S/C24H32O3/c25-22-19-15-10-11-16-20(19)23(26)24(27)21(22)17-9-4-2-1-3-6-12-18-13-7-5-8-14-18/h10-11,15-16,18,27H,1-9,12-14,17H2
InChIKey MGDIRAXSDLCQGC-UHFFFAOYSA-N
Molecular Weight 368.517 g/mol
SMILES C1(=O)C2=C(C(=O)C(=C1CCCCCCCCC1CCCCC1)O)C=CC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817504