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3-Cyclohexylnonadecane

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

3-Cyclohexylnonadecane
SpectraBase Compound ID DjaifJ4MNvC
InChI InChI=1S/C25H50/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24(4-2)25-22-19-17-20-23-25/h24-25H,3-23H2,1-2H3
InChIKey GTYHTXZNQDQOOL-UHFFFAOYSA-N
Mol Weight 350.7 g/mol
Molecular Formula C25H50
Exact Mass 350.391252 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3gcweF9bZgS
Name 3-Cyclohexylnonadecane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.391251610 u
Formula C25H50
InChI InChI=1S/C25H50/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24(4-2)25-22-19-17-20-23-25/h24-25H,3-23H2,1-2H3
InChIKey GTYHTXZNQDQOOL-UHFFFAOYSA-N
Molecular Weight 350.675 g/mol
SMILES C1(CCCCC1)C(CCCCCCCCCCCCCCCC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950364