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N-[2-(Indol-3-yl)ethyl]-S-benzyldithiocarbamate
SpectraBase Compound ID CN63YQtBzHa
InChI InChI=1S/C18H18N2S2/c21-18(22-13-14-6-2-1-3-7-14)19-11-10-16-12-15-8-4-5-9-17(15)20-16/h1-9,12,20H,10-11,13H2,(H,19,21)
InChIKey UDMBZULQHCKYPT-UHFFFAOYSA-N
Mol Weight 326.48 g/mol
Molecular Formula C18H18N2S2
Exact Mass 326.091141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHEsmOq9Ki0
Name N-[2-(Indol-3-yl)ethyl]-S-benzyldithiocarbamate
Alternate Name(s) N-[2-(1H-indol-2-yl)ethyl]carbamodithioic acid (phenylmethyl) ester benzyl N-[2-(1H-indol-2-yl)ethyl]carbamodithioate (phenylmethyl) N-[2-(1H-indol-2-yl)ethyl]carbamodithioate
Comments Less than 3 mono-isotopic peaks
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Formula C18H18N2S2
InChI InChI=1S/C18H18N2S2/c21-18(22-13-14-6-2-1-3-7-14)19-11-10-16-12-15-8-4-5-9-17(15)20-16/h1-9,12,20H,10-11,13H2,(H,19,21)
InChIKey UDMBZULQHCKYPT-UHFFFAOYSA-N
Molecular Weight 326.476 g/mol
SMILES [nH]1c2c(cc1CCNC(=S)SCc1ccccc1)cccc2
SPLASH splash10-001i-0930000000-8acb64244b0d1b6cfa7a
Source of Spectrum AF-49-688-15
Wiley ID 1694246