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1H-[1,2,3]Triazole-4-carboxylic acid, 1-(4,6-bisdimethylamino-[1,3,5]triazin-2-yl)-5-phenyl-, ethyl ester
SpectraBase Compound ID K0Yjy1QQTW9
InChI InChI=1S/C18H22N8O2/c1-6-28-15(27)13-14(12-10-8-7-9-11-12)26(23-22-13)18-20-16(24(2)3)19-17(21-18)25(4)5/h7-11H,6H2,1-5H3
InChIKey CKEGATUPHPBCGW-UHFFFAOYSA-N
Mol Weight 382.43 g/mol
Molecular Formula C18H22N8O2
Exact Mass 382.186572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ydp1Pv0g6p
Name 1H-[1,2,3]Triazole-4-carboxylic acid, 1-(4,6-bisdimethylamino-[1,3,5]triazin-2-yl)-5-phenyl-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N8O2
InChI InChI=1S/C18H22N8O2/c1-6-28-15(27)13-14(12-10-8-7-9-11-12)26(23-22-13)18-20-16(24(2)3)19-17(21-18)25(4)5/h7-11H,6H2,1-5H3
InChIKey CKEGATUPHPBCGW-UHFFFAOYSA-N
Molecular Weight 382.428 g/mol
SMILES c1(ccccc1)-c1c(nn[n]1-c1nc(nc(n1)N(C)C)N(C)C)C(OCC)=O
SPLASH splash10-0002-9221000000-b8e1311c922be825e933
Source of Spectrum AD-0-2532-0
Synonyms 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-phenyl-4-triazolecarboxylic acid ethyl ester 1-[4,6-bis(dimethylamino)-s-triazin-2-yl]-5-phenyl-triazole-4-carboxylic acid ethyl ester Ethyl 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-phenyl-1,2,3-triazole-4-carboxylate Ethyl 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-phenyl-1H-1,2,3-triazole-4-carboxylate Ethyl 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-phenyl-triazole-4-carboxylate
Wiley ID 1435899