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1,5-Hexadiene, 3-deuteromethyl-4-methyl-
SpectraBase Compound ID 1kvQgvL0P1l
InChI InChI=1S/C8H14/c1-5-7(3)8(4)6-2/h5-8H,1-2H2,3-4H3/i3D
InChIKey BKVALJGAKNDDJJ-WFVSFCRTSA-N
Mol Weight 111.21 g/mol
Molecular Formula C8H13D
Exact Mass 111.115827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NhNnRvGue
Name 1,5-Hexadiene, 3-deuteromethyl-4-methyl-
CAS Registry Number 74498-90-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13D
InChI InChI=1S/C8H14/c1-5-7(3)8(4)6-2/h5-8H,1-2H2,3-4H3/i3D
InChIKey BKVALJGAKNDDJJ-WFVSFCRTSA-N
Molecular Weight 111.206 g/mol
SMILES CC(C(C=C)C[D])C=C
SPLASH splash10-0a4i-9000000000-1aabad9184936290574b
Source of Spectrum HE-1982-0-0
Synonyms 1,5-Hexadiene, 3-methyl-4-(methyl-D)- 3,4-Dimethyl-1,5-hexadiene. monodeuterated
Wiley ID 1122626