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5-(2-(Benzo[d][1,3]dioxol-5-yl)-4-oxothiazolidin-3-yl)-1,3-dibenzylpyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 9mTI6JX2RuN
InChI InChI=1S/C28H23N3O5S/c32-25-17-37-27(21-11-12-23-24(13-21)36-18-35-23)31(25)22-16-29(14-19-7-3-1-4-8-19)28(34)30(26(22)33)15-20-9-5-2-6-10-20/h1-13,16,27H,14-15,17-18H2
InChIKey OIXUILFWVAIZOJ-UHFFFAOYSA-N
Mol Weight 513.57 g/mol
Molecular Formula C28H23N3O5S
Exact Mass 513.135842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GM5mIxmJ19z
Name 5-(2-(Benzo[d][1,3]dioxol-5-yl)-4-oxothiazolidin-3-yl)-1,3-dibenzylpyrimidine-2,4(1H,3H)-dione
Appearance White solid
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Formula C28H23N3O5S
InChI InChI=1S/C28H23N3O5S/c32-25-17-37-27(21-11-12-23-24(13-21)36-18-35-23)31(25)22-16-29(14-19-7-3-1-4-8-19)28(34)30(26(22)33)15-20-9-5-2-6-10-20/h1-13,16,27H,14-15,17-18H2
InChIKey OIXUILFWVAIZOJ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8430
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3589
Molecular Weight 513.568 g/mol
SMILES C1(N(C(C(=CN1Cc1ccccc1)N1C(CSC1c1cc2c(cc1)OCO2)=O)=O)Cc1ccccc1)=O
SPLASH splash10-0006-9510000000-d9d716c27be4eeb1c8ab
Source of Spectrum Y-56-SM10-6a
Wiley ID 1861211