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1-(4-tert-butylphenyl)-4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-1-one
SpectraBase Compound ID 4iUdrtN1dju
InChI InChI=1S/C24H26N4OS/c1-24(2,3)17-13-11-16(12-14-17)20(29)10-7-15-30-23-25-22-21(26-27-23)18-8-5-6-9-19(18)28(22)4/h5-6,8-9,11-14H,7,10,15H2,1-4H3
InChIKey NLFMOXCVBCUNJO-UHFFFAOYSA-N
Mol Weight 418.56 g/mol
Molecular Formula C24H26N4OS
Exact Mass 418.182733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JX1ADxiHa7
Name 1-(4-tert-butylphenyl)-4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26N4OS
InChI InChI=1S/C24H26N4OS/c1-24(2,3)17-13-11-16(12-14-17)20(29)10-7-15-30-23-25-22-21(26-27-23)18-8-5-6-9-19(18)28(22)4/h5-6,8-9,11-14H,7,10,15H2,1-4H3
InChIKey NLFMOXCVBCUNJO-UHFFFAOYSA-N
Molecular Weight 418.559 g/mol
SMILES CC(C)(C)c1ccc(cc1)C(=O)CCCSc1nc2c(nn1)c1c([n]2C)cccc1
SPLASH splash10-00kf-4980000000-198998b69ef09b9cf510
Synonyms 1-(4-tert-butylphenyl)-4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-butanone 1-(4-tert-butylphenyl)-4-[(5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]butan-1-one
Wiley ID 1512330