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5-Methyl-Z-5-docosene

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

5-Methyl-Z-5-docosene
SpectraBase Compound ID 2XiJnxviR9t
InChI InChI=1S/C23H46/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3)21-7-5-2/h22H,4-21H2,1-3H3/b23-22-
InChIKey QORCENASYFFLFP-FCQUAONHSA-N
Mol Weight 322.6 g/mol
Molecular Formula C23H46
Exact Mass 322.359951 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 93sowLVwv4w
Name 5-Methyl-Z-5-docosene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.359951481 u
Formula C23H46
InChI InChI=1S/C23H46/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3)21-7-5-2/h22H,4-21H2,1-3H3/b23-22-
InChIKey QORCENASYFFLFP-FCQUAONHSA-N
Molecular Weight 322.621 g/mol
SMILES C(CCCCCCCC\C=C/(CCCC)C)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954947