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REGIOLONE;SYN-(-)-ISOSCLERONE
SpectraBase Compound ID CRILQixRwWE
InChI InChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,7,11-12H,4-5H2/t7-/m1/s1
InChIKey ZXYYTDCENDYKBR-SSDOTTSWSA-N
Mol Weight 178.19 g/mol
Molecular Formula C10H10O3
Exact Mass 178.062994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H6zOya4iltG
Name REGIOLONE;SYN-(-)-ISOSCLERONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H10O3
InChI InChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,7,11-12H,4-5H2/t7-/m1/s1
InChIKey ZXYYTDCENDYKBR-SSDOTTSWSA-N
Literature Reference Author T.A.M.GULDER,H.HONG,J.CORREA,E.EGEREVA,J.WIESE,J.F.IMHOFF,H. GROSS
Literature Reference Citation MAR.DRUGS,10,2912(2012)
Literature Reference DOI 10.3390/md10122912
Molecular Weight 178.188 g/mol
Source File Reference UWIR6097