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2-(1-Ethyl-3-phenyl-2-oxo-4-thioxo-5,6-dihydro-1H,3H-1,3,5-triazinebenzyloxy)-2,2-dimethylacetic acid methyl ester
SpectraBase Compound ID J4eCq15LpGN
InChI InChI=1S/C23H27N3O4S/c1-5-25-21(31)24-19(26(22(25)28)18-9-7-6-8-10-18)17-13-11-16(12-14-17)15-30-23(2,3)20(27)29-4/h6-14,19H,5,15H2,1-4H3,(H,24,31)
InChIKey HHFCPZDFQFAYPE-UHFFFAOYSA-N
Mol Weight 441.55 g/mol
Molecular Formula C23H27N3O4S
Exact Mass 441.172228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mTyWMTKfBj
Name 2-(1-Ethyl-3-phenyl-2-oxo-4-thioxo-5,6-dihydro-1H,3H-1,3,5-triazinebenzyloxy)-2,2-dimethylacetic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27N3O4S
InChI InChI=1S/C23H27N3O4S/c1-5-25-21(31)24-19(26(22(25)28)18-9-7-6-8-10-18)17-13-11-16(12-14-17)15-30-23(2,3)20(27)29-4/h6-14,19H,5,15H2,1-4H3,(H,24,31)
InChIKey HHFCPZDFQFAYPE-UHFFFAOYSA-N
Molecular Weight 441.546 g/mol
SMILES N1C(N(C(N(C1=S)CC)=O)c1ccccc1)c1ccc(COC(C(=O)OC)(C)C)cc1
SPLASH splash10-000l-8900000000-141ee9f4adb05f8e8c54
Source of Spectrum SO-0-1532-3
Wiley ID 1546082