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1H-Indole-3-ethanamine, 5-bromo-N-[(2-methyl-1,3-dithian-2-yl)methylene]-, N-oxide, (Z)-
SpectraBase Compound ID DZZBgPh7zxs
InChI InChI=1S/C16H19BrN2OS2/c1-16(21-7-2-8-22-16)11-19(20)6-5-12-10-18-15-4-3-13(17)9-14(12)15/h3-4,9-11,18H,2,5-8H2,1H3/b19-11-
InChIKey VELOKCFUIFNLDR-ODLFYWEKSA-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 K7BuKb75Dz2
Name 1H-Indole-3-ethanamine, 5-bromo-N-[(2-methyl-1,3-dithian-2-yl)methylene]-, N-oxide, (Z)-
CAS Registry Number 131653-83-3
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)11-19(20)6-5-12-10-18-15-4-3-13(17)9-14(12)15/h3-4,9-11,18H,2,5-8H2,1H3/b19-11-
InChIKey VELOKCFUIFNLDR-ODLFYWEKSA-N
Molecular Weight 399.365 g/mol
SMILES [nH]1c2c(c(c1)CC\[N+](=C\C1(SCCCS1)C)[O-])cc(cc2)Br
SPLASH splash10-05fr-0290000000-686af2afe8459f75e1cd
Source of Spectrum I-68-1418-22
Synonyms N-[2'-(5''-bromo-3''-indolyl)ethyl]-2-methyl-1,3-dithiane-2-carbaldimine N-oxide
Wiley ID 1368162