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4-Pyridinemethanamine, .alpha.-1,3-dithian-2-ylidene-3-[1-(5-methoxy-1H-indol-3-yl)ethyl]-, (.+-.)-
SpectraBase Compound ID LUTlKYZs6M9
InChI InChI=1S/C21H23N3OS2/c1-13(18-12-24-19-5-4-14(25-2)10-16(18)19)17-11-23-7-6-15(17)20(22)21-26-8-3-9-27-21/h4-7,10-13,24H,3,8-9,22H2,1-2H3
InChIKey DQCIVMRPUNLMDA-UHFFFAOYSA-N
Mol Weight 397.56 g/mol
Molecular Formula C21H23N3OS2
Exact Mass 397.128255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5liZEST6foU
Name 4-Pyridinemethanamine, .alpha.-1,3-dithian-2-ylidene-3-[1-(5-methoxy-1H-indol-3-yl)ethyl]-, (.+-.)-
Alternate Name(s) 1,3-Dithian-2-ylidene{3-[1-(5-methoxy-1H-indol-3-yl)ethyl]-4-pyridinyl}methanamine 1,3-Dithian-2-ylidene{3-[1-(5-methoxy-1H-indol-3-yl)ethyl]-4-pyridinyl}methylamine 3-{2-(5''-[1',3'-dithian-2'-yl-aminomethlene]pyrid-3-yl)-ethyl}-5-methoxy-indole
CAS Registry Number 120106-39-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3OS2
InChI InChI=1S/C21H23N3OS2/c1-13(18-12-24-19-5-4-14(25-2)10-16(18)19)17-11-23-7-6-15(17)20(22)21-26-8-3-9-27-21/h4-7,10-13,24H,3,8-9,22H2,1-2H3
InChIKey DQCIVMRPUNLMDA-UHFFFAOYSA-N
Molecular Weight 397.555 g/mol
SMILES [nH]1c2c(c(C(c3c(C(=C4SCCCS4)N)ccnc3)C)c1)cc(cc2)OC
SPLASH splash10-0002-0079000000-a6f027b816b1513827da
Source of Spectrum KC-1988-2939-14
Wiley ID 1367954