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1,2,4-Tri(neopentyl)benzene

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

1,2,4-Tri(neopentyl)benzene
SpectraBase Compound ID Ji3wEP08ZMo
InChI InChI=1S/C21H36/c1-19(2,3)13-16-10-11-17(14-20(4,5)6)18(12-16)15-21(7,8)9/h10-12H,13-15H2,1-9H3
InChIKey FIRNBPSWBZRNKK-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 5ek7kaDJrwA
Name 1,2,4-Tri(neopentyl)benzene
CAS Registry Number 129917-42-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36
InChI InChI=1S/C21H36/c1-19(2,3)13-16-10-11-17(14-20(4,5)6)18(12-16)15-21(7,8)9/h10-12H,13-15H2,1-9H3
InChIKey FIRNBPSWBZRNKK-UHFFFAOYSA-N
Molecular Weight 288.519 g/mol
SMILES c1(c(CC(C)(C)C)ccc(c1)CC(C)(C)C)CC(C)(C)C
SPLASH splash10-0059-0970000000-69e1d6ba263fd4311e5d
Source of Spectrum K-124-878-10
Wiley ID 1292358