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1-(4-tert-butylphenyl)-4-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-1-one
SpectraBase Compound ID HUFfZKxqGpB
InChI InChI=1S/C26H30N4OS/c1-5-16-30-21-10-7-6-9-20(21)23-24(30)27-25(29-28-23)32-17-8-11-22(31)18-12-14-19(15-13-18)26(2,3)4/h6-7,9-10,12-15H,5,8,11,16-17H2,1-4H3
InChIKey XPIJGGHJQVHMPN-UHFFFAOYSA-N
Mol Weight 446.61 g/mol
Molecular Formula C26H30N4OS
Exact Mass 446.214033 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3c01ZtVsyKn
Name 1-(4-tert-butylphenyl)-4-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-1-one
Alternate Name(s) 1-(4-tert-butylphenyl)-4-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-butanone 1-(4-tert-butylphenyl)-4-[(5-propyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N4OS
InChI InChI=1S/C26H30N4OS/c1-5-16-30-21-10-7-6-9-20(21)23-24(30)27-25(29-28-23)32-17-8-11-22(31)18-12-14-19(15-13-18)26(2,3)4/h6-7,9-10,12-15H,5,8,11,16-17H2,1-4H3
InChIKey XPIJGGHJQVHMPN-UHFFFAOYSA-N
Molecular Weight 446.613 g/mol
SMILES CC(C)(C)c1ccc(cc1)C(=O)CCCSc1nc2c(nn1)c1c([n]2CCC)cccc1
SPLASH splash10-00dm-3790100000-d910251b29616df69409
Wiley ID 1512331