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2,2-DIMETHYL-4-HEXEN-3-ONE
SpectraBase Compound ID 2c3elm1LG94
InChI InChI=1S/C8H14O/c1-5-6-7(9)8(2,3)4/h5-6H,1-4H3/b6-5+
InChIKey BSISGLSTYYYBJI-AATRIKPKSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EwD86kSQ5VI
Name (4E)-2,2-Dimethyl-4-hexen-3-one
Alternate Name(s) (E)-2,2-dimethyl-4-hexen-3-one (E)-2,2-dimethylhex-4-en-3-one 2,2-Dimethyl-4-hexen-3-one 4-Hexen-3-one, 2,2-dimethyl-
CAS Registry Number 20971-19-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-5-6-7(9)8(2,3)4/h5-6H,1-4H3/b6-5+
InChIKey BSISGLSTYYYBJI-AATRIKPKSA-N
Molecular Weight 126.199 g/mol
SMILES CC(C)(C)C(=O)\C=C\C
SPLASH splash10-014i-9000000000-a91d385da7af25b21a85
Wiley ID 1479112