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2,2-Dimethyl-4,12-dioxo-3-[(diphenylmethyl)oxycarbonyl]-1,4-[3,4-b]-(1,3)-thiazolidine
SpectraBase Compound ID LDlilt95ycL
InChI InChI=1S/C29H36N2O4S/c1-29(2)27(28(34)35-26(21-14-8-6-9-15-21)22-16-10-7-11-17-22)31-24(33)19-13-5-3-4-12-18-23(32)30-20-25(31)36-29/h6-11,14-17,25-27H,3-5,12-13,18-20H2,1-2H3,(H,30,32)/t25-,27?/m1/s1
InChIKey VERUJQQUENHKPG-CSMDKSQMSA-N
Mol Weight 508.7 g/mol
Molecular Formula C29H36N2O4S
Exact Mass 508.239579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zsEPYNhGBg
Name 2,2-Dimethyl-4,12-dioxo-3-[(diphenylmethyl)oxycarbonyl]-1,4-[3,4-b]-(1,3)-thiazolidine
Comments Less than 3 mono-isotopic peaks
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Formula C29H36N2O4S
InChI InChI=1S/C29H36N2O4S/c1-29(2)27(28(34)35-26(21-14-8-6-9-15-21)22-16-10-7-11-17-22)31-24(33)19-13-5-3-4-12-18-23(32)30-20-25(31)36-29/h6-11,14-17,25-27H,3-5,12-13,18-20H2,1-2H3,(H,30,32)/t25-,27?/m1/s1
InChIKey VERUJQQUENHKPG-CSMDKSQMSA-N
Molecular Weight 508.677 g/mol
SMILES N1C(CCCCCCCC(N2[C@@](C1)(SC(C2C(OC(c1ccccc1)c1ccccc1)=O)(C)C)[H])=O)=O
SPLASH splash10-014i-0900000000-43621c2c8f6315ee3132
Source of Spectrum D8-328-215-22
Wiley ID 1515762