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AURANTOIC_ACID

View entire compound with spectra: 1 NMR

AURANTOIC_ACID
SpectraBase Compound ID AQjVstlrfat
InChI InChI=1S/C12H13ClO2/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h2-10H,1H3,(H,14,15)/b3-2+,6-4+,7-5+,10-8+,11-9-
InChIKey XUUUHVRPNJADCG-HKNGRZMZSA-N
Mol Weight 224.69 g/mol
Molecular Formula C12H13ClO2
Exact Mass 224.060407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HCufyVXxugq
Name AURANTOIC_ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13ClO2
InChI InChI=1S/C12H13ClO2/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h2-10H,1H3,(H,14,15)/b3-2+,6-4+,7-5+,10-8+,11-9-
InChIKey XUUUHVRPNJADCG-HKNGRZMZSA-N
Literature Reference Author R.F.ANGAWI,B.CALCINAI,C.CERRANO,H.A.DIEN,E.FATTORUSSO,F.SCAL A,O.TAGLIALATELA-SCA
Literature Reference Citation J.NAT.PROD.,72,2195(2009)
Literature Reference DOI 10.1021/np900669d
Molecular Weight 224.687 g/mol
Sample ID 34279
Solvent CDCl3