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Bicyclo[3.1.1]heptane-1-carboxylic acid, 5-(hydroxymethyl)-, 1,1-dimethylethyl ester
SpectraBase Compound ID 47gaEda4TpL
InChI InChI=1S/C13H22O3/c1-11(2,3)16-10(15)13-6-4-5-12(7-13,8-13)9-14/h14H,4-9H2,1-3H3
InChIKey BCSOAVKZVJQFSH-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3wBjbYcg5I
Name Bicyclo[3.1.1]heptane-1-carboxylic acid, 5-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Registry Number 122699-65-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-11(2,3)16-10(15)13-6-4-5-12(7-13,8-13)9-14/h14H,4-9H2,1-3H3
InChIKey BCSOAVKZVJQFSH-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES OCC12CC(C(OC(C)(C)C)=O)(C2)CCC1
SPLASH splash10-0pb9-4920000000-6037a578541108d22049
Source of Spectrum J-54-4949-30
Synonyms tert-Butyl 5-(hydroxymethyl)bicyclo[3.1.1]heptane-1-carboxylate
Wiley ID 1227604