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Bicyclo[3.1.1]heptane-1,5-dicarboxylic acid, 1,1-dimethylethyl methyl ester
SpectraBase Compound ID 2esTpt0fFqb
InChI InChI=1S/C14H22O4/c1-12(2,3)18-11(16)14-7-5-6-13(8-14,9-14)10(15)17-4/h5-9H2,1-4H3
InChIKey RWIREWZLWLQSKE-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WJaNS1A0QR
Name Bicyclo[3.1.1]heptane-1,5-dicarboxylic acid, 1,1-dimethylethyl methyl ester
CAS Registry Number 122699-63-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-12(2,3)18-11(16)14-7-5-6-13(8-14,9-14)10(15)17-4/h5-9H2,1-4H3
InChIKey RWIREWZLWLQSKE-UHFFFAOYSA-N
Molecular Weight 254.326 g/mol
SMILES C12(C(OC(C)(C)C)=O)CC(C2)(C(=O)OC)CCC1
SPLASH splash10-052g-9700000000-15c72422eb396c1fe231
Source of Spectrum J-54-4949-28
Synonyms 1-tert-Butyl 5-methyl bicyclo[3.1.1]heptane-1,5-dicarboxylate tert-Butyl 5-(methoxycarbonyl)bicyclo[3.1.1]heptane-1-carboxylate
Wiley ID 1257701