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

*Links on SpectraBase are not permalinks.
2-Amino-1,7,8-trimethyl-5H-pyrido[4,3-b]indol-2-nium mesitylenesulfonate
SpectraBase Compound ID D3MR8uLB8Fx
InChI InChI=1S/C14H15N3.C9H12O3S/c1-8-6-11-13(7-9(8)2)16-12-4-5-17(15)10(3)14(11)12;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-7H,15H2,1-3H3;4-5H,1-3H3,(H,10,11,12)
InChIKey HNXLALJHGWUTIL-UHFFFAOYSA-N
Mol Weight 425.55 g/mol
Molecular Formula C23H27N3O3S
Exact Mass 425.177313 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 1GX1k8UiQ3J
Name 2-Amino-1,7,8-trimethyl-5H-pyrido[4,3-b]indol-2-nium mesitylenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27N3O3S
InChI InChI=1S/C14H15N3.C9H12O3S/c1-8-6-11-13(7-9(8)2)16-12-4-5-17(15)10(3)14(11)12;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-7H,15H2,1-3H3;4-5H,1-3H3,(H,10,11,12)
InChIKey HNXLALJHGWUTIL-UHFFFAOYSA-N
Molecular Weight 425.547 g/mol
SMILES N[n+]1ccc2c(c3c(cc(c(c3)C)C)[nH]2)c1C.c1(S([O-])(=O)=O)c(cc(cc1C)C)C
SPLASH splash10-05mk-0900000000-d625ed986729de9ec3c3
Source of Spectrum J-64-3913-2
Synonyms 2,4,6-trimethylbenzenesulfonate;1,7,8-trimethyl-5H-pyrido[4,3-b]indol-2-ium-2-amine
Wiley ID 1530212