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ISOSEIRIDIN;(3-METHYL-4-(3-HYDROXYHEPTYL)-2(5H)-FURANONE)
SpectraBase Compound ID 3FXAiYNvMx6
InChI InChI=1S/C12H20O3/c1-3-11(13)7-5-4-6-10-8-15-12(14)9(10)2/h11,13H,3-8H2,1-2H3/t11-/m0/s1
InChIKey RRJPBACYMZWMBB-NSHDSACASA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Axh0Apzkcnr
Name ISOSEIRIDIN;(3-METHYL-4-(3-HYDROXYHEPTYL)-2(5H)-FURANONE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-3-11(13)7-5-4-6-10-8-15-12(14)9(10)2/h11,13H,3-8H2,1-2H3/t11-/m0/s1
InChIKey RRJPBACYMZWMBB-NSHDSACASA-N
Literature Reference Author A.EVIDENTE,G.RANDAZZO,A.BALLIO
Literature Reference Citation J.NAT.PROD.,49,593(1986)
Literature Reference DOI 10.1021/np50046a006
Molecular Weight 212.289 g/mol
Solvent CDCl3
Source File Reference UWTS668