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2,3,4-TRIMETHYL-HEXANE;(DIASTEREOMER-1)
SpectraBase Compound ID LfamV1VQvkg
InChI InChI=1S/C9H20/c1-6-8(4)9(5)7(2)3/h7-9H,6H2,1-5H3
InChIKey RUTNOQHQISEBGT-UHFFFAOYSA-N
Mol Weight 128.26 g/mol
Molecular Formula C9H20
Exact Mass 128.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44IF5CKU1kA
Name Hexane, 2,3,4-trimethyl-
CAS Registry Number 921-47-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H20
InChI InChI=1S/C9H20/c1-6-8(4)9(5)7(2)3/h7-9H,6H2,1-5H3
InChIKey RUTNOQHQISEBGT-UHFFFAOYSA-N
Molecular Weight 128.259 g/mol
SMILES CCC(C)C(C)C(C)C
SPLASH splash10-0006-9000000000-54d0c71a8448a964993c
Source of Spectrum AA-0-572-2
Synonyms 2,3,4-Trimethylhexane EINECS 213-066-2
Wiley ID 5431