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2-Carbomethoxy-2-methyl-3-cyclohexen-1-one
SpectraBase Compound ID 5FrzTcMItPE
InChI InChI=1S/C9H12O3/c1-9(8(11)12-2)6-4-3-5-7(9)10/h4,6H,3,5H2,1-2H3
InChIKey BZQYEFMRTGVHAU-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Blbv05AXCI2
Name 2-Carbomethoxy-2-methyl-3-cyclohexen-1-one
Alternate Name(s) Methyl 1-methyl-6-oxo-2-cyclohexene-1-carboxylate
CAS Registry Number 63548-79-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-9(8(11)12-2)6-4-3-5-7(9)10/h4,6H,3,5H2,1-2H3
InChIKey BZQYEFMRTGVHAU-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES C1(C(=O)OC)(C(=O)CCC=C1)C
SPLASH splash10-004l-0900000000-d500dad5654c438ef01c
Source of Spectrum J-49-4436-0
Wiley ID 1164315