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3-Hexenyl-5,5-dimethyl-2-cyclohexenone
SpectraBase Compound ID Kdes7jbIOzC
InChI InChI=1S/C14H22O/c1-4-5-6-7-8-12-9-10-14(2,3)11-13(12)15/h5-6,9H,4,7-8,10-11H2,1-3H3/b6-5+
InChIKey QVIHGWHDDUQKFU-AATRIKPKSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DC6bslZAoYV
Name 3-Hexenyl-5,5-dimethyl-2-cyclohexenone
Alternate Name(s) 2-[(3E)-3-hexenyl]-5,5-dimethyl-2-cyclohexen-1-one
CAS Registry Number 114048-87-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-4-5-6-7-8-12-9-10-14(2,3)11-13(12)15/h5-6,9H,4,7-8,10-11H2,1-3H3/b6-5+
InChIKey QVIHGWHDDUQKFU-AATRIKPKSA-N
Molecular Weight 206.329 g/mol
SMILES C1(C(=CCC(C1)(C)C)CC\C=C\CC)=O
SPLASH splash10-0a4i-0930000000-c3ed7f573878404f6354
Source of Spectrum AJ-60-3473-11
Wiley ID 1205239