For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(4-tert-butylphenyl)-4-[(5-isopropyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-1-one
SpectraBase Compound ID MASqBooLaY
InChI InChI=1S/C26H30N4OS/c1-17(2)30-21-10-7-6-9-20(21)23-24(30)27-25(29-28-23)32-16-8-11-22(31)18-12-14-19(15-13-18)26(3,4)5/h6-7,9-10,12-15,17H,8,11,16H2,1-5H3
InChIKey JMLJCSOUHQBWOP-UHFFFAOYSA-N
Mol Weight 446.61 g/mol
Molecular Formula C26H30N4OS
Exact Mass 446.214033 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KDHVKo051yg
Name 1-(4-tert-butylphenyl)-4-[(5-isopropyl-[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 C26H30N4OS
InChI InChI=1S/C26H30N4OS/c1-17(2)30-21-10-7-6-9-20(21)23-24(30)27-25(29-28-23)32-16-8-11-22(31)18-12-14-19(15-13-18)26(3,4)5/h6-7,9-10,12-15,17H,8,11,16H2,1-5H3
InChIKey JMLJCSOUHQBWOP-UHFFFAOYSA-N
Molecular Weight 446.613 g/mol
SMILES CC(C)(C)c1ccc(cc1)C(=O)CCCSc1nc2c(nn1)c1c([n]2C(C)C)cccc1
SPLASH splash10-00dm-1590100000-fa6a1b5b99b0afefb6e2
Synonyms 1-(4-tert-butylphenyl)-4-[(5-isopropyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]butan-1-one 1-(4-tert-butylphenyl)-4-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-1-one 1-(4-tert-butylphenyl)-4-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-butanone
Wiley ID 1512418