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ISOCROTOFOLANE
SpectraBase Compound ID 2jN9jDFJoqO
InChI InChI=1S/C20H28O4/c1-10-6-7-12(19(3,4)23)9-14-15(10)16-13(8-11(2)17(16)21)18(22)20(14,5)24/h9,11,14-15,18,22-24H,1,6-8H2,2-5H3/t11-,14-,15-,18+,20-/m1/s1
InChIKey IYHWJJLLNKCRMK-QNWPKYLXSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3JeRRwUsc2w
Name ISOCROTOFOLANE
Compound Number 5A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-10-6-7-12(19(3,4)23)9-14-15(10)16-13(8-11(2)17(16)21)18(22)20(14,5)24/h9,11,14-15,18,22-24H,1,6-8H2,2-5H3/t11-,14-,15-,18+,20-/m1/s1
InChIKey IYHWJJLLNKCRMK-QNWPKYLXSA-N
Literature Reference Author S.KAWAKAMI,K.MATSUNAMI,H.OTSUKA,M.INAGAKI,Y.TAKEDA,M.KAWAHAT A,K.YAMAGUCHI
Literature Reference Citation CHEM.PHARM.BULL.,63,1047(2015)
Literature Reference DOI 10.1248/cpb.c15-00635
Molecular Weight 332.440 g/mol
Solvent CD3OD
Source File Reference UWPA10182