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N-METHYLPHOMAPYRROLIDONE_A
SpectraBase Compound ID A4XB7Wvu3Tj
InChI InChI=1S/C35H43NO4/c1-16-12-17(2)25-23(13-16)26-20(5)29-19(4)18(3)15-35(29,6)30-28(26)32(25)40-22-10-8-21(9-11-22)14-24-27(31(30)37)34(39)36(7)33(24)38/h8-11,15-17,19,23-28,30,32H,12-14H2,1-7H3/t16-,17+,19-,23-,24-,25-,26-,27+,28+,30+,32-,35-/m0/s1
InChIKey MAZDETZTAVRVEX-BKHPUCJFSA-N
Mol Weight 541.7 g/mol
Molecular Formula C35H43NO4
Exact Mass 541.319209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4i7FIPmfYwX
Name N-METHYLPHOMAPYRROLIDONE_A
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H43NO4
InChI InChI=1S/C35H43NO4/c1-16-12-17(2)25-23(13-16)26-20(5)29-19(4)18(3)15-35(29,6)30-28(26)32(25)40-22-10-8-21(9-11-22)14-24-27(31(30)37)34(39)36(7)33(24)38/h8-11,15-17,19,23-28,30,32H,12-14H2,1-7H3/t16-,17+,19-,23-,24-,25-,26-,27+,28+,30+,32-,35-/m0/s1
InChIKey MAZDETZTAVRVEX-BKHPUCJFSA-N
Literature Reference Author E.M.K.WIJERATNE,H.HE,S.G.FRANZBLAU,A.M.HOFFMAN,A.A.L.GUNATIL AKA
Literature Reference Citation J.NAT.PROD.,76,1860(2013)
Literature Reference DOI 10.1021/np400391p
Molecular Weight 541.731 g/mol
Solvent CDCl3
Source File Reference UWMZ43290