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RUMBrIN;PYRROLYLOCTATETRAENYL-ALPHA-PYRONE
SpectraBase Compound ID 8pVLWkTBTgB
InChI InChI=1S/C20H20ClNO3/c1-14(18-13-19(24-3)15(2)20(23)25-18)9-7-5-4-6-8-10-17-16(21)11-12-22-17/h4-13,22H,1-3H3/b6-4+,7-5+,10-8+,14-9+
InChIKey TUFFAFAPFQNIRB-NBWHIMRISA-N
Mol Weight 357.84 g/mol
Molecular Formula C20H20ClNO3
Exact Mass 357.113171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JtpIvUv2gtn
Name 12-(E)-ISORUMBRIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20ClNO3
InChI InChI=1S/C20H20ClNO3/c1-14(18-13-19(24-3)15(2)20(23)25-18)9-7-5-4-6-8-10-17-16(21)11-12-22-17/h4-13,22H,1-3H3/b6-4+,7-5+,10-8+,14-9+
InChIKey TUFFAFAPFQNIRB-NBWHIMRISA-N
Literature Reference Author B.R.CLARK,R.J.CAPON,E.LACEY,S.TENNANT,J.H.GILL
Literature Reference Citation ORG.LETTERS,8,701(2006)
Literature Reference DOI 10.1021/ol052880y
Molecular Weight 357.837 g/mol
Sample ID 39922
Solvent DMSO-D6