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3,3',5'-Tribenzoyl-5-[(E)-2-phenylethenyl]-2'-deoxyuridine
SpectraBase Compound ID DxkM8xJIM6F
InChI InChI=1S/C38H30N2O8/c41-34(27-15-7-2-8-16-27)40-35(42)30(22-21-26-13-5-1-6-14-26)24-39(38(40)45)33-23-31(48-37(44)29-19-11-4-12-20-29)32(47-33)25-46-36(43)28-17-9-3-10-18-28/h1-22,24,31-33H,23,25H2/b22-21+/t31-,32+,33+/m0/s1
InChIKey JAFVPFDXYWRQJO-OQJADJCJSA-N
Mol Weight 642.7 g/mol
Molecular Formula C38H30N2O8
Exact Mass 642.200216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7iQcAD0qDaw
Name 3,3',5'-Tribenzoyl-5-[(E)-2-phenylethenyl]-2'-deoxyuridine
Alternate Name(s) 3-Benzoyl-1-[(2R,4S,5R)-4-benzoyl-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl]-5-[(E)-2-phenylethenyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
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Formula C38H30N2O8
InChI InChI=1S/C38H30N2O8/c41-34(27-15-7-2-8-16-27)40-35(42)30(22-21-26-13-5-1-6-14-26)24-39(38(40)45)33-23-31(48-37(44)29-19-11-4-12-20-29)32(47-33)25-46-36(43)28-17-9-3-10-18-28/h1-22,24,31-33H,23,25H2/b22-21+/t31-,32+,33+/m0/s1
InChIKey JAFVPFDXYWRQJO-OQJADJCJSA-N
Molecular Weight 642.664 g/mol
SMILES C1(N(C(C(=CN1[C@@]1(O[C@](COC(=O)c2ccccc2)([C@](C1)(OC(=O)c1ccccc1)[H])[H])[H])\C=C\c1ccccc1)=O)C(=O)c1ccccc1)=O
SPLASH splash10-053r-9811000000-857282abdc94bbf5a38e
Source of Spectrum H1-42-381-5
Wiley ID 757560