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2-Cyclohepten-1-one, 2-(3-methyl-2-butenyl)-
SpectraBase Compound ID 4BDOXsMMAhl
InChI InChI=1S/C12H18O/c1-10(2)8-9-11-6-4-3-5-7-12(11)13/h6,8H,3-5,7,9H2,1-2H3
InChIKey QJVMONGIRQNTHN-UHFFFAOYSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YojggYlrzk
Name 2-Cyclohepten-1-one, 2-(3-methyl-2-butenyl)-
Alternate Name(s) 2-(3-Methyl-2-butenyl)-2-cyclohepten-1-one
CAS Registry Number 69519-71-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-10(2)8-9-11-6-4-3-5-7-12(11)13/h6,8H,3-5,7,9H2,1-2H3
InChIKey QJVMONGIRQNTHN-UHFFFAOYSA-N
Molecular Weight 178.275 g/mol
SMILES C=1(C(=O)CCCCC1)CC=C(C)C
SPLASH splash10-03fr-5900000000-1015e6858075f39cd583
Source of Spectrum AJ-57-1938-9
Wiley ID 1174773