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Aldehyde-(20) - derivative of thiangazole

View entire compound with spectra: 1 MS (GC)

Aldehyde-(20) - derivative of thiangazole
SpectraBase Compound ID 5QsO9jJyeJA
InChI InChI=1S/C25H26N4O2S3/c1-16-18(12-30)31-20(26-16)23(2)13-33-22(28-23)25(4)15-34-21(29-25)24(3)14-32-19(27-24)11-10-17-8-6-5-7-9-17/h5-12H,13-15H2,1-4H3/b11-10+/t23-,24-,25-/m0/s1
InChIKey HWEZASGXUDMBFQ-VZKANXNGSA-N
Mol Weight 510.69 g/mol
Molecular Formula C25H26N4O2S3
Exact Mass 510.12179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkjHWwL420B
Name Aldehyde-(20) - derivative of thiangazole
Alternate Name(s) 4-Methyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-oxazole-5-carbaldehyde
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Formula C25H26N4O2S3
InChI InChI=1S/C25H26N4O2S3/c1-16-18(12-30)31-20(26-16)23(2)13-33-22(28-23)25(4)15-34-21(29-25)24(3)14-32-19(27-24)11-10-17-8-6-5-7-9-17/h5-12H,13-15H2,1-4H3/b11-10+/t23-,24-,25-/m0/s1
InChIKey HWEZASGXUDMBFQ-VZKANXNGSA-N
Molecular Weight 510.689 g/mol
SMILES c1([C@]2(N=C([C@]3(N=C([C@]4(N=C(\C=C\c5ccccc5)SC4)C)SC3)C)SC2)C)nc(C)c(o1)C=O
SPLASH splash10-0ir0-2492300000-a30407481fa4d39eb28d
Source of Spectrum U1-1999-3387-20
Wiley ID 753465