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Hexane, 3-(deuteromethyl)-4-methyl-
SpectraBase Compound ID 8t29dR5V74C
InChI InChI=1S/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3/i3D
InChIKey RNTWWGNZUXGTAX-WFVSFCRTSA-N
Mol Weight 115.24 g/mol
Molecular Formula C8H17D
Exact Mass 115.147127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IE6xLr9mG10
Name Hexane, 3-(deuteromethyl)-4-methyl-
Alternate Name(s) 3,4-Dimethylhexane, monodeuterated Hexane, 3-methyl-4-(methyl-D)-
CAS Registry Number 74498-91-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H17D
InChI InChI=1S/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3/i3D
InChIKey RNTWWGNZUXGTAX-WFVSFCRTSA-N
Molecular Weight 115.238 g/mol
SMILES CC(C(CC)C[D])CC
SPLASH splash10-0a4l-9000000000-b4f05548c84774c9ca53
Source of Spectrum HE-1982-0-0
Wiley ID 1124946