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ASPINOTRIOL_A

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ASPINOTRIOL_A
SpectraBase Compound ID 1tTGjxk0oPb
InChI InChI=1S/C9H16O3/c1-7(11)3-4-9(6-10)5-8(2)12/h3-5,7-8,10-12H,6H2,1-2H3/b4-3+,9-5-/t7-,8-/m0/s1
InChIKey KWETYTFGFLMCQO-KSUZBYAFSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4buXLhtlNPI
Name ASPINOTRIOL_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-7(11)3-4-9(6-10)5-8(2)12/h3-5,7-8,10-12H,6H2,1-2H3/b4-3+,9-5-/t7-,8-/m0/s1
InChIKey KWETYTFGFLMCQO-KSUZBYAFSA-N
Literature Reference Author K.KITO,R.OOKURA,S.YOSHIDA,M.NAMIKOSHI,T.OOI,T.KUSUMI
Literature Reference Citation J.NAT.PROD.,70,2022(2007)
Literature Reference DOI 10.1021/np070301n
Molecular Weight 172.224 g/mol
Sample ID 31264
Solvent C5D5N