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4-[((3-Isobutyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino]-6-methyl-3-(2',3',4',6'-tetra-O-aceyl-b-Dglucopyranosylthio)-1,2,4-triazin-5(4H)-one

View entire compound with spectra: 1 MS (GC)

4-[((3-Isobutyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino]-6-methyl-3-(2',3',4',6'-tetra-O-aceyl-b-Dglucopyranosylthio)-1,2,4-triazin-5(4H)-one
SpectraBase Compound ID 1REgJt9wHHY
InChI InChI=1S/C32H38N6O10S/c1-17(2)13-25-23(15-37(36-25)24-11-9-8-10-12-24)14-33-38-30(43)18(3)34-35-32(38)49-31-29(47-22(7)42)28(46-21(6)41)27(45-20(5)40)26(48-31)16-44-19(4)39/h8-12,14-15,17,26-29,31H,13,16H2,1-7H3/b33-14-/t26-,27-,28+,29-,31+/m0/s1
InChIKey FSZVZHUXCQSERW-QRWDUJAASA-N
Mol Weight 698.7 g/mol
Molecular Formula C32H38N6O10S
Exact Mass 698.237013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrQ1w26Um63
Name 4-[((3-Isobutyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino]-6-methyl-3-(2',3',4',6'-tetra-O-aceyl-b-Dglucopyranosylthio)-1,2,4-triazin-5(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H38N6O10S
InChI InChI=1S/C32H38N6O10S/c1-17(2)13-25-23(15-37(36-25)24-11-9-8-10-12-24)14-33-38-30(43)18(3)34-35-32(38)49-31-29(47-22(7)42)28(46-21(6)41)27(45-20(5)40)26(48-31)16-44-19(4)39/h8-12,14-15,17,26-29,31H,13,16H2,1-7H3/b33-14-/t26-,27-,28+,29-,31+/m0/s1
InChIKey FSZVZHUXCQSERW-QRWDUJAASA-N
Molecular Weight 698.748 g/mol
SMILES C=1(N(C(C(=NN1)C)=O)\N=C/c1c(n[n](c1)-c1ccccc1)CC(C)C)S[C@@]1([C@]([C@@]([C@@](OC(=O)C)([C@@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])[H]
SPLASH splash10-001i-1930000000-93105c2c0dfa3d2cb554
Source of Spectrum F2-46-235-22
Wiley ID 1689826