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6-Methylhept-2-en-4-one
SpectraBase Compound ID Cp69up9UOxO
InChI InChI=1S/C8H14O/c1-4-5-8(9)6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+
InChIKey VJQKJGLHKJYTQM-SNAWJCMRSA-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 LPIzoxMJQ8j
Name 6-Methylhept-2-en-4-one
Alternate Name(s) (2E)-6-methyl-2-hepten-4-one (E)-6-methyl-2-hepten-4-one (E)-6-methylhept-2-en-4-one
CAS Registry Number 49852-35-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-4-5-8(9)6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+
InChIKey VJQKJGLHKJYTQM-SNAWJCMRSA-N
Molecular Weight 126.199 g/mol
SMILES C(\C=C\C)(=O)CC(C)C
SPLASH splash10-014i-9100000000-6fc50f87aa167d86afb3
Source of Spectrum G-66-1803-4
Wiley ID 871827