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3-[N-(p-Tolylsulfonyl)indol-7'-yl]-1-(acetyloxy)but-2-ene
SpectraBase Compound ID 2mScrXML0xl
InChI InChI=1S/C21H21NO4S/c1-15-7-9-19(10-8-15)27(24,25)22-13-11-18-5-4-6-20(21(18)22)16(2)12-14-26-17(3)23/h4-13H,14H2,1-3H3/b16-12+
InChIKey QRPIARMZGONSBU-FOWTUZBSSA-N
Mol Weight 383.46 g/mol
Molecular Formula C21H21NO4S
Exact Mass 383.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KU73e4pQaX
Name 3-[N-(p-Tolylsulfonyl)indol-7'-yl]-1-(acetyloxy)but-2-ene
Alternate Name(s) (E)-3-(1-tosyl-1H-indol-7-yl)but-2-en-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO4S
InChI InChI=1S/C21H21NO4S/c1-15-7-9-19(10-8-15)27(24,25)22-13-11-18-5-4-6-20(21(18)22)16(2)12-14-26-17(3)23/h4-13H,14H2,1-3H3/b16-12+
InChIKey QRPIARMZGONSBU-FOWTUZBSSA-N
Molecular Weight 383.462 g/mol
SMILES c12[n](S(c3ccc(cc3)C)(=O)=O)ccc2cccc1\C(=C\COC(=O)C)C
SPLASH splash10-000x-9957000000-fa0e208735c5450487f4
Source of Spectrum F5-2-1454-13c
Wiley ID 1731836