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Triamylbenzene (mixture of 3 isomers)
SpectraBase Compound ID HV1iYRcoO3G
InChI InChI=1S/C21H36/c1-4-7-10-14-19-16-13-17-20(15-11-8-5-2)21(19)18-12-9-6-3/h13,16-17H,4-12,14-15,18H2,1-3H3
InChIKey VWCLTWGYSRBKAI-UHFFFAOYSA-N
Mol Weight 288.5 g/mol
Molecular Formula C21H36
Exact Mass 288.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRY72yZbpGQ
Name Triamylbenzene (mixture of 3 isomers)
Alternate Name(s) 1,2,3-Tripentylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36
InChI InChI=1S/C21H36/c1-4-7-10-14-19-16-13-17-20(15-11-8-5-2)21(19)18-12-9-6-3/h13,16-17H,4-12,14-15,18H2,1-3H3
InChIKey VWCLTWGYSRBKAI-UHFFFAOYSA-N
Molecular Weight 288.519 g/mol
SMILES c1(c(c(ccc1)CCCCC)CCCCC)CCCCC
SPLASH splash10-0007-6090000000-d5983de088d9bed24a14
Source of Spectrum JX-2015-6-2033
Wiley ID 1728228