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Cyclohexanecarboxylic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester
SpectraBase Compound ID XR344vab9m
InChI InChI=1S/C12H22O3/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h9-10,13H,4-8H2,1-3H3
InChIKey GDYJTECZNCIHEI-UHFFFAOYSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zPeiGJBzjH
Name Cyclohexanecarboxylic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Registry Number 122699-78-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h9-10,13H,4-8H2,1-3H3
InChIKey GDYJTECZNCIHEI-UHFFFAOYSA-N
Molecular Weight 214.305 g/mol
SMILES OCC1CC(C(OC(C)(C)C)=O)CCC1
SPLASH splash10-0a4i-9100000000-b7702275aedce8236e95
Source of Spectrum J-54-4950-24
Synonyms tert-Butyl 3-(hydroxymethyl)cyclohexanecarboxylate
Wiley ID 1213623