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3-Hepten-2-one, 4-methyl-
SpectraBase Compound ID 9bFG49TWOpC
InChI InChI=1S/C8H14O/c1-4-5-7(2)6-8(3)9/h6H,4-5H2,1-3H3/b7-6+
InChIKey URFGREAPSNSHAH-VOTSOKGWSA-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 H7gEQFaywfd
Name 3-Hepten-2-one, 4-methyl-
Alternate Name(s) (3E)-4-Methyl-3-hepten-2-one (E)-4-methyl-3-hepten-2-one (E)-4-methylhept-3-en-2-one 4-Methyl-3-hepten-2-one
CAS Registry Number 22319-25-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-4-5-7(2)6-8(3)9/h6H,4-5H2,1-3H3/b7-6+
InChIKey URFGREAPSNSHAH-VOTSOKGWSA-N
Molecular Weight 126.199 g/mol
SMILES CCC\C(C)=C\C(C)=O
SPLASH splash10-0296-9100000000-f27be4a9f3fcf7b7767c
Source of Spectrum AD-0-4725-0
Wiley ID 4871