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ETHYL_TUMONOATE

View entire compound with spectra: 1 NMR

ETHYL_TUMONOATE
SpectraBase Compound ID H4bM7HBC0i0
InChI InChI=1S/C21H37NO4/c1-5-7-8-9-10-11-13-16(3)19(23)17(4)20(24)22-15-12-14-18(22)21(25)26-6-2/h13,17-19,23H,5-12,14-15H2,1-4H3/b16-13+/t17-,18+,19-/m1/s1
InChIKey ATSNGULFDLCUIL-BFJJTLHJSA-N
Mol Weight 367.5 g/mol
Molecular Formula C21H37NO4
Exact Mass 367.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gb1zAPnlh9l
Name ETHYL_TUMONOATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H37NO4
InChI InChI=1S/C21H37NO4/c1-5-7-8-9-10-11-13-16(3)19(23)17(4)20(24)22-15-12-14-18(22)21(25)26-6-2/h13,17-19,23H,5-12,14-15H2,1-4H3/b16-13+/t17-,18+,19-/m1/s1
InChIKey ATSNGULFDLCUIL-BFJJTLHJSA-N
Literature Reference Author N.ENGENE,H.CHOI,E.ESQUENAZI,T.BYRUM,F.A.VILLA,Z.CAO,T.F.MURR AY,P.C.DORRESTEIN,L.
Literature Reference Citation J.NAT.PROD.,74,1737(2011)
Literature Reference DOI 10.1021/np200236c
Molecular Weight 367.529 g/mol
Sample ID 39096
Solvent CDCl3