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Bicyclo[3.2.1]octane-6-carboxylic acid, 1-hydroxy-7-methylene-4-(1-methylethyl)-, (4-endo,6-exo)-(.+-.)-
SpectraBase Compound ID 8Com31rXOnV
InChI InChI=1S/C13H20O3/c1-7(2)9-4-5-13(16)6-10(9)11(8(13)3)12(14)15/h7,9-11,16H,3-6H2,1-2H3,(H,14,15)/t9-,10+,11?,13-/m1/s1
InChIKey KUEDRWVIGSXWKO-FIOVSDBCSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6uwFs1xJKhA
Name Bicyclo[3.2.1]octane-6-carboxylic acid, 1-hydroxy-7-methylene-4-(1-methylethyl)-, (4-endo,6-exo)-(.+-.)-
CAS Registry Number 71298-38-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-7(2)9-4-5-13(16)6-10(9)11(8(13)3)12(14)15/h7,9-11,16H,3-6H2,1-2H3,(H,14,15)/t9-,10+,11?,13-/m1/s1
InChIKey KUEDRWVIGSXWKO-FIOVSDBCSA-N
Molecular Weight 224.300 g/mol
SMILES O[C@]12C(C(C(=O)O)[C@@](C2)([C@](CC1)(C(C)C)[H])[H])=C
SPLASH splash10-000i-1910000000-472c9dda2e0cd20a9b1f
Source of Spectrum B-32-831-0
Synonyms 1-Hydroxy-4-isopropyl-7-methylenebicyclo[3.2.1]octane-6-carboxylic acid 1-Hydroxy-endo-4-isopropyl-7-methylenebicyclo(3,2,1)octane-exo-6-carboxlic acid
Wiley ID 1225262