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3-Hepten-2-one, 6-methyl-, (E)-6-Methyl-trans-3-hepten-2-one
SpectraBase Compound ID B9Z8s9Myoq
InChI InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h4,6-7H,5H2,1-3H3/b6-4+
InChIKey RSNMTAYSENLHOW-GQCTYLIASA-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 7CM7V2ktgkO
Name 6-Methyl-3-hepten-2-one
Alternate Name(s) (E)-6-methyl-3-hepten-2-one (E)-6-methylhept-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h4,6-7H,5H2,1-3H3/b6-4+
InChIKey RSNMTAYSENLHOW-GQCTYLIASA-N
Molecular Weight 126.199 g/mol
SMILES CC(\C=C\CC(C)C)=O
SPLASH splash10-05mo-9100000000-f269960156893864dce1
Source of Spectrum J-67-4618-19
Wiley ID 1570188