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5-CHLOROACREMINE_H
SpectraBase Compound ID vFujXkjVlH
InChI InChI=1S/C12H17ClO5/c1-11(2,16)10-8(18-10)5-4-6(14)12(3,17)9(13)7(5)15/h4,7-10,15-17H,1-3H3/t7-,8?,9-,10?,12+/m1/s1
InChIKey DKNILNCXVTXKNO-KXRYXMPXSA-N
Mol Weight 276.72 g/mol
Molecular Formula C12H17ClO5
Exact Mass 276.076451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1HnoGybpn74
Name 5-CHLOROACREMINE_H
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17ClO5
InChI InChI=1S/C12H17ClO5/c1-11(2,16)10-8(18-10)5-4-6(14)12(3,17)9(13)7(5)15/h4,7-10,15-17H,1-3H3/t7-,8?,9-,10?,12+/m1/s1
InChIKey DKNILNCXVTXKNO-KXRYXMPXSA-N
Literature Reference Author X.SUCIATI,J.A.FRASER,L.K.LAMBERT,G.K.PIERENS,P.V.BERNHARDT,M .J.GARSON
Literature Reference Citation J.NAT.PROD.,76,1432(2013)
Literature Reference DOI 10.1021/np4002114
Molecular Weight 276.717 g/mol
Solvent CDCl3
Source File Reference UWMZ43017