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CLAIYLFFCXOFOI-KVSKUHBBSA-N
SpectraBase Compound ID 2oTg9ozQbvG
InChI InChI=1S/C8H12O4/c1-2-12-8(11)7-5(9)3-4-6(7)10/h3-7,9-10H,2H2,1H3/t5-,6+,7-
InChIKey CLAIYLFFCXOFOI-KVSKUHBBSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID XiX3JaHItJ
Name CLAIYLFFCXOFOI-KVSKUHBBSA-N
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-2-12-8(11)7-5(9)3-4-6(7)10/h3-7,9-10H,2H2,1H3/t5-,6+,7-
InChIKey CLAIYLFFCXOFOI-KVSKUHBBSA-N
Literature Reference Author X.ZHANG,F.LIN,C.S.FOOTE
Literature Reference Citation J.ORG.CHEM.,60,1333(1995)
Literature Reference DOI 10.1021/jo00110a043
Molecular Weight 172.181 g/mol
Solvent CDCl3
Source File Reference UWGE642