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2-(1-Isopropyl-3-ethyl-2-oxo-4-thioxo-5,6-dihydro-1H,3H-1,3,5-triazinebenzyloxy)-2,2-dimethylacetic acid methyl ester
SpectraBase Compound ID 31PemyUU6re
InChI InChI=1S/C20H29N3O4S/c1-7-22-16(21-18(28)23(13(2)3)19(22)25)15-10-8-14(9-11-15)12-27-20(4,5)17(24)26-6/h8-11,13,16H,7,12H2,1-6H3,(H,21,28)
InChIKey AIHUJGVDTAHCML-UHFFFAOYSA-N
Mol Weight 407.53 g/mol
Molecular Formula C20H29N3O4S
Exact Mass 407.187878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2n5rzavrIu
Name 2-(1-Isopropyl-3-ethyl-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 C20H29N3O4S
InChI InChI=1S/C20H29N3O4S/c1-7-22-16(21-18(28)23(13(2)3)19(22)25)15-10-8-14(9-11-15)12-27-20(4,5)17(24)26-6/h8-11,13,16H,7,12H2,1-6H3,(H,21,28)
InChIKey AIHUJGVDTAHCML-UHFFFAOYSA-N
Molecular Weight 407.529 g/mol
SMILES N1C(N(C(N(C1c1ccc(COC(C(=O)OC)(C)C)cc1)CC)=O)C(C)C)=S
SPLASH splash10-0frx-3900100000-155d2552564398931789
Source of Spectrum SO-0-1532-3
Wiley ID 1546083