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(2sr,4sr)-2-Benzyloxy-4-phthalimido-6-trichloromethyl-3,4-dihydro-2H-pyran

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(2sr,4sr)-2-Benzyloxy-4-phthalimido-6-trichloromethyl-3,4-dihydro-2H-pyran
SpectraBase Compound ID 5zvWCwymivO
InChI InChI=1S/C21H16Cl3NO4/c22-21(23,24)17-10-14(11-18(29-17)28-12-13-6-2-1-3-7-13)25-19(26)15-8-4-5-9-16(15)20(25)27/h1-10,14,18H,11-12H2
InChIKey ACMUOSDDOQCEDA-UHFFFAOYSA-N
Mol Weight 452.72 g/mol
Molecular Formula C21H16Cl3NO4
Exact Mass 451.014491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2DJQgtY10dz
Name (2sr,4sr)-2-Benzyloxy-4-phthalimido-6-trichloromethyl-3,4-dihydro-2H-pyran
Comments Computed using HOSE algorithm
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Exact Mass 451.014491095 u
Formula C21H16Cl3NO4
InChI InChI=1S/C21H16Cl3NO4/c22-21(23,24)17-10-14(11-18(29-17)28-12-13-6-2-1-3-7-13)25-19(26)15-8-4-5-9-16(15)20(25)27/h1-10,14,18H,11-12H2
InChIKey ACMUOSDDOQCEDA-UHFFFAOYSA-N
Molecular Weight 452.721 g/mol
SMILES C1(N(C(C=2C=CC=CC12)=O)C1C=C(C(Cl)(Cl)Cl)OC(C1)OCC1=CC=CC=C1)=O