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1-Hydroxy-cycloheptan-2,3-dicarboxylic acid-gamma-lactone
SpectraBase Compound ID 60heRz9SJPu
InChI InChI=1S/C9H12O4/c10-8(11)7-5-3-1-2-4-6(7)13-9(5)12/h5-7H,1-4H2,(H,10,11)
InChIKey NVDJNMGMIFEIBJ-UHFFFAOYSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XlhcaaqMcr
Name 1-Hydroxy-cycloheptan-2,3-dicarboxylic acid-gamma-lactone
Alternate Name(s) 8-Oxo-7-oxabicyclo[4.2.1]nonane-9-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O4
InChI InChI=1S/C9H12O4/c10-8(11)7-5-3-1-2-4-6(7)13-9(5)12/h5-7H,1-4H2,(H,10,11)
InChIKey NVDJNMGMIFEIBJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19721050439
Molecular Weight 184.191 g/mol
SMILES OC(C1C2CCCCC1C(O2)=O)=O
SPLASH splash10-0002-9800000000-8c6cd7d63c94445d5eb3
Source of Spectrum K-105-1461-8
Wiley ID 1794718