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Bicyclo[3.2.1]octane-1-carboxylic acid, 6-oxo-
SpectraBase Compound ID 4DNfCjSHxew
InChI InChI=1S/C9H12O3/c10-7-5-9(8(11)12)3-1-2-6(7)4-9/h6H,1-5H2,(H,11,12)
InChIKey BTBSDNOSFKRCOH-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXm3ruIXHMB
Name Bicyclo[3.2.1]octane-1-carboxylic acid, 6-oxo-
CAS Registry Number 56975-28-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c10-7-5-9(8(11)12)3-1-2-6(7)4-9/h6H,1-5H2,(H,11,12)
InChIKey BTBSDNOSFKRCOH-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES OC(C12CC(=O)C(C2)CCC1)=O
SPLASH splash10-01c0-9700000000-1f8036beebe612042ba5
Source of Spectrum AC-1979-155-0
Synonyms 1-Carboxy-6-oxo-bicyclo[3.2.1]-octane 6-Oxobicyclo[3.2.1]octane-1-carboxylic acid 7-Oxo-5-bicyclo[3.2.1]octanecarboxylic acid 7-Oxobicyclo[3.2.1]octane-5-carboxylic acid 7-Oxidanylidenebicyclo[3.2.1]octane-5-carboxylic acid
Wiley ID 1164337