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N-(p-Methoxybenzyl)-4-[2-methoxy-4-(3-methyl-1-oxohept-6-yn-1-yloxy)-6-(3-methylhex-4-yn-1-yl)tetrahydropyran-2-yl]thiazolidin-2-one isomer
SpectraBase Compound ID ArDznscCErL
InChI InChI=1S/C33H43NO6S/c1-7-9-10-12-25(4)19-31(35)39-29-20-28(16-13-24(3)11-8-2)40-33(21-29,38-6)30-23-41-32(36)34(30)22-26-14-17-27(37-5)18-15-26/h14-15,17-19,24,28-30H,10,12-13,16,20-23H2,1-6H3/b25-19+
InChIKey KGBBARMIZOOONN-NCELDCMTSA-N
Mol Weight 581.8 g/mol
Molecular Formula C33H43NO6S
Exact Mass 581.281109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoIpdLX20Vx
Name N-(p-Methoxybenzyl)-4-[2-methoxy-4-(3-methyl-1-oxohept-6-yn-1-yloxy)-6-(3-methylhex-4-yn-1-yl)tetrahydropyran-2-yl]thiazolidin-2-one isomer
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Formula C33H43NO6S
InChI InChI=1S/C33H43NO6S/c1-7-9-10-12-25(4)19-31(35)39-29-20-28(16-13-24(3)11-8-2)40-33(21-29,38-6)30-23-41-32(36)34(30)22-26-14-17-27(37-5)18-15-26/h14-15,17-19,24,28-30H,10,12-13,16,20-23H2,1-6H3/b25-19+
InChIKey KGBBARMIZOOONN-NCELDCMTSA-N
Molecular Weight 581.768 g/mol
SMILES C1(C2N(C(=O)SC2)Cc2ccc(cc2)OC)(OC(CCC(C#CC)C)CC(C1)OC(\C=C\(CCC#CC)C)=O)OC
SPLASH splash10-0abi-0920000000-b7aaf5ad7197ac07738f
Source of Spectrum QE-13-128-34
Wiley ID 1662084