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1-Carbomethoxy-2,2-dimethylbicyclo[4.3.0]non-5-en-4-one
SpectraBase Compound ID LQRcbNDzp0e
InChI InChI=1S/C13H18O3/c1-12(2)8-10(14)7-9-5-4-6-13(9,12)11(15)16-3/h7H,4-6,8H2,1-3H3
InChIKey YTTDUZCMZIMECP-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bus6oUaPYwI
Name 1-Carbomethoxy-2,2-dimethylbicyclo[4.3.0]non-5-en-4-one
CAS Registry Number 87307-62-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-12(2)8-10(14)7-9-5-4-6-13(9,12)11(15)16-3/h7H,4-6,8H2,1-3H3
InChIKey YTTDUZCMZIMECP-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C12(C(=CC(CC2(C)C)=O)CCC1)C(=O)OC
SPLASH splash10-0229-0690000000-97eac045a4c65138b01e
Source of Spectrum J-48-4647-0
Synonyms methyl 4,4-dimethyl-6-oxo-1,2,3,4,5,6-hexahydro-3aH-indene-3a-carboxylate
Wiley ID 1222539