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Bicyclo[3.1.1]heptane-1-carboxylic acid, 5-methyl-, 1,1-dimethylethyl ester
SpectraBase Compound ID GqZR9OXvci2
InChI InChI=1S/C13H22O2/c1-11(2,3)15-10(14)13-7-5-6-12(4,8-13)9-13/h5-9H2,1-4H3
InChIKey IILMQRGKPARQNG-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAnzGeErGj5
Name Bicyclo[3.1.1]heptane-1-carboxylic acid, 5-methyl-, 1,1-dimethylethyl ester
Alternate Name(s) tert-Butyl 5-methylbicyclo[3.1.1]heptane-1-carboxylate
CAS Registry Number 122699-71-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-11(2,3)15-10(14)13-7-5-6-12(4,8-13)9-13/h5-9H2,1-4H3
InChIKey IILMQRGKPARQNG-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
SMILES C12(C(OC(C)(C)C)=O)CC(C2)(C)CCC1
SPLASH splash10-0a4i-9600000000-7da2db2ea29bc1bd31cc
Source of Spectrum J-54-4949-31
Wiley ID 1209635