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2-(1-carbomethoxycyclobutan-1-yl)-2,4,6-cycloheptatrien-1-one
SpectraBase Compound ID 3ORFZ6Ba8tA
InChI InChI=1S/C13H14O3/c1-16-12(15)13(8-5-9-13)10-6-3-2-4-7-11(10)14/h2-4,6-7H,5,8-9H2,1H3
InChIKey BPWVYTBWYVZRTN-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqnWHsyo6Y6
Name 2-(1-carbomethoxycyclobutan-1-yl)-2,4,6-cycloheptatrien-1-one
Alternate Name(s) Methyl 1-(7-oxo-1,3,5-cycloheptatrien-1-yl)cyclobutanecarboxylate
CAS Registry Number 115912-68-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-16-12(15)13(8-5-9-13)10-6-3-2-4-7-11(10)14/h2-4,6-7H,5,8-9H2,1H3
InChIKey BPWVYTBWYVZRTN-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES C=1(C2(C(=O)OC)CCC2)C(C=CC=CC1)=O
SPLASH splash10-0560-2900000000-3151a1318156f0a5e7ed
Source of Spectrum J-53-4597-0
Wiley ID 1217734