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6-BROMO-2-HYDROXY-1-(2'-METHYL-1',3'-DITHIAN-2'-YL)-1,2,3,4-TETRAHYDRO-BETA-CARBOLINE
SpectraBase Compound ID 2Xvk1VkXvwf
InChI InChI=1S/C16H19BrN2OS2/c1-16(21-7-2-8-22-16)15-14-11(5-6-19(15)20)12-9-10(17)3-4-13(12)18-14/h3-4,9,15,18,20H,2,5-8H2,1H3
InChIKey YTTIFHLXFFNXGA-UHFFFAOYSA-N
Mol Weight 399.37 g/mol
Molecular Formula C16H19BrN2OS2
Exact Mass 398.012219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kg1rI3vp7jY
Name 1H-Pyrido[3,4-b]indole, 6-bromo-2,3,4,9-tetrahydro-2-hydroxy-1-(2-methyl-1,3-dithian-2-yl)-, (.+-.)-
CAS Registry Number 131653-84-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19BrN2OS2
InChI InChI=1S/C16H19BrN2OS2/c1-16(21-7-2-8-22-16)15-14-11(5-6-19(15)20)12-9-10(17)3-4-13(12)18-14/h3-4,9,15,18,20H,2,5-8H2,1H3
InChIKey YTTIFHLXFFNXGA-UHFFFAOYSA-N
Molecular Weight 399.365 g/mol
SMILES [nH]1c2ccc(cc2c2c1C(N(CC2)O)C1(SCCCS1)C)Br
SPLASH splash10-00kb-0191000000-5c6bca1488eb7ff10a67
Source of Spectrum I-68-1418-23
Synonyms 6-Bromo-1-(2-methyl-1,3-dithian-2-yl)-1,3,4,9-tetrahydro-2H-.beta.-carbolin-2-ol 6-Bromo-2-hydroxy-1-(2'-methyl-1',3'-dithian-2'-yl)-1,2,3,4-tetra-hydro-.beta.-carboline
Wiley ID 1368163