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Cyclohexane, (1-octylnonyl)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 4 MS (GC)

Cyclohexane, (1-octylnonyl)-
SpectraBase Compound ID 6C4gJBnBVj8
InChI InChI=1S/C23H46/c1-3-5-7-9-11-14-18-22(23-20-16-13-17-21-23)19-15-12-10-8-6-4-2/h22-23H,3-21H2,1-2H3
InChIKey QQUZVPOZCFYGDY-UHFFFAOYSA-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 GuVHdZanZ4r
Name Cyclohexane, (1-octylnonyl)-
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/c1-3-5-7-9-11-14-18-22(23-20-16-13-17-21-23)19-15-12-10-8-6-4-2/h22-23H,3-21H2,1-2H3
InChIKey QQUZVPOZCFYGDY-UHFFFAOYSA-N
Molecular Weight 322.621 g/mol
SMILES C(C(CCCCCCCC)C1CCCCC1)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896567