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2-[2-[2-(Methoxycarbonyl)-4-methyl-4-phenylpentyl]]-4-(2-methyl-2-phenylpropyl)-4-methyl-3-oxo-1,2,5-thiadiazolidine 1,1-Dioxide
SpectraBase Compound ID ErLaoYBYvwG
InChI InChI=1S/C27H36N2O5S/c1-24(2,20-14-10-8-11-15-20)18-26(5)22(30)29(35(32,33)28-26)27(6,23(31)34-7)19-25(3,4)21-16-12-9-13-17-21/h8-17,28H,18-19H2,1-7H3
InChIKey XCGNPGWFTMLOMB-UHFFFAOYSA-N
Mol Weight 500.7 g/mol
Molecular Formula C27H36N2O5S
Exact Mass 500.234493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSLDrfpoLlj
Name 2-[2-[2-(Methoxycarbonyl)-4-methyl-4-phenylpentyl]]-4-(2-methyl-2-phenylpropyl)-4-methyl-3-oxo-1,2,5-thiadiazolidine 1,1-Dioxide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36N2O5S
InChI InChI=1S/C27H36N2O5S/c1-24(2,20-14-10-8-11-15-20)18-26(5)22(30)29(35(32,33)28-26)27(6,23(31)34-7)19-25(3,4)21-16-12-9-13-17-21/h8-17,28H,18-19H2,1-7H3
InChIKey XCGNPGWFTMLOMB-UHFFFAOYSA-N
Molecular Weight 500.654 g/mol
SMILES N1S(N(C(C1(CC(c1ccccc1)(C)C)C)=O)C(CC(c1ccccc1)(C)C)(C(=O)OC)C)(=O)=O
SPLASH splash10-014i-0490000000-86fbad68348b7eef6dd9
Source of Spectrum J-56-2039-15
Synonyms 2-[2-[2-(Methoxycarbonyl)-4-methyl-4-phenylpentyl]]-4-(2-methyl-2-phenylpropyl)-4-methyl-3-oxo-1,2,5-thiadiazolidine 1,1-Dioxide isomer Methyl 2,4-dimethyl-2-[4-methyl-4-(2-methyl-2-phenylpropyl)-1,1-dioxido-3-oxo-1,2,5-thiadiazolidin-2-yl]-4-phenylpentanoate
Wiley ID 1398865