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Bicyclo[2.1.1]hexane-1,4-dicarboxylic acid, 1,1-dimethylethyl methyl ester

View entire compound with spectra: 1 MS (GC)

Bicyclo[2.1.1]hexane-1,4-dicarboxylic acid, 1,1-dimethylethyl methyl ester
SpectraBase Compound ID JYYjHZ6Z8xY
InChI InChI=1S/C13H20O4/c1-11(2,3)17-10(15)13-6-5-12(7-13,8-13)9(14)16-4/h5-8H2,1-4H3
InChIKey QZNOHCGJYRZBCQ-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gb6pF4QomFn
Name Bicyclo[2.1.1]hexane-1,4-dicarboxylic acid, 1,1-dimethylethyl methyl ester
Alternate Name(s) 1-tert-Butyl 4-methyl bicyclo[2.1.1]hexane-1,4-dicarboxylate tert-Butyl 4-(methoxycarbonyl)bicyclo[2.1.1]hexane-1-carboxylate
CAS Registry Number 122699-62-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-11(2,3)17-10(15)13-6-5-12(7-13,8-13)9(14)16-4/h5-8H2,1-4H3
InChIKey QZNOHCGJYRZBCQ-UHFFFAOYSA-N
Molecular Weight 240.299 g/mol
SMILES C12(C(OC(C)(C)C)=O)CC(C2)(C(=O)OC)CC1
SPLASH splash10-0a4r-5900000000-3610256ccb469a4a1ebd
Source of Spectrum J-54-4949-28
Wiley ID 1242868