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3-Octen-2-one, 3-ethyl-4-methyl-
SpectraBase Compound ID 1tpHUo4nhFy
InChI InChI=1S/C11H20O/c1-5-7-8-9(3)11(6-2)10(4)12/h5-8H2,1-4H3/b11-9+
InChIKey MHNAMXWYSKYITD-PKNBQFBNSA-N
Mol Weight 168.28 g/mol
Molecular Formula C11H20O
Exact Mass 168.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DsmNeYM1dIn
Name 3-Octen-2-one, 3-ethyl-4-methyl-
Alternate Name(s) (3E)-3-ethyl-4-methyl-3-octen-2-one 3-Ethyl-4-methyl-oct-3-en-2-one
CAS Registry Number 82202-11-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O
InChI InChI=1S/C11H20O/c1-5-7-8-9(3)11(6-2)10(4)12/h5-8H2,1-4H3/b11-9+
InChIKey MHNAMXWYSKYITD-PKNBQFBNSA-N
Molecular Weight 168.280 g/mol
SMILES C(\C(=C\(C(=O)C)CC)C)CCC
SPLASH splash10-0udi-0900000000-08ac872e7e5451ce4d6b
Source of Spectrum F-37-4033-0
Wiley ID 1165161