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1,2,4-tris(acetyloxy)-5-oxo-6-(2,4,6-trichlorophenyl)hexan-3-yl acetate
SpectraBase Compound ID 3i6ktNsxlHL
InChI InChI=1S/C19H20Cl3NO9/c1-8(24)29-7-15(30-9(2)25)17(31-10(3)26)18(32-11(4)27)19(28)23-16-13(21)5-12(20)6-14(16)22/h5-6,15,17-18H,7H2,1-4H3,(H,23,28)/t15-,17-,18+/m0/s1
InChIKey DZVCIZYWXBFEKF-RYQLBKOJSA-N
Mol Weight 512.73 g/mol
Molecular Formula C19H20Cl3NO9
Exact Mass 511.020364 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H3A8At8Pwnq
Name 1,2,4-tris(acetyloxy)-5-oxo-6-(2,4,6-trichlorophenyl)hexan-3-yl acetate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 511.020364319 u
Formula C19H20Cl3NO9
InChI InChI=1S/C19H20Cl3NO9/c1-8(24)29-7-15(30-9(2)25)17(31-10(3)26)18(32-11(4)27)19(28)23-16-13(21)5-12(20)6-14(16)22/h5-6,15,17-18H,7H2,1-4H3,(H,23,28)/t15-,17-,18+/m0/s1
InChIKey DZVCIZYWXBFEKF-RYQLBKOJSA-N
Molecular Weight 512.726 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2368
Solvent DMSO-d6
Source Vendor ID: ZI/9016341; Lab Info: RVP; Lab Number: RVP-rrv2574