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(3E)-4-[5-(4-Methylphenyl)sulfonyl-5H-[1,3]dioxolo[4,5-f]indol-6-yl]-but-3-en-2-one
SpectraBase Compound ID 2B2kxXWIVCG
InChI InChI=1S/C20H17NO5S/c1-13-3-7-17(8-4-13)27(23,24)21-16(6-5-14(2)22)9-15-10-19-20(11-18(15)21)26-12-25-19/h3-11H,12H2,1-2H3/b6-5+
InChIKey MKTNXKSFNPLAGQ-AATRIKPKSA-N
Mol Weight 383.42 g/mol
Molecular Formula C20H17NO5S
Exact Mass 383.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LokHqgoRF4c
Name (3E)-4-[5-(4-Methylphenyl)sulfonyl-5H-[1,3]dioxolo[4,5-f]indol-6-yl]-but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17NO5S
InChI InChI=1S/C20H17NO5S/c1-13-3-7-17(8-4-13)27(23,24)21-16(6-5-14(2)22)9-15-10-19-20(11-18(15)21)26-12-25-19/h3-11H,12H2,1-2H3/b6-5+
InChIKey MKTNXKSFNPLAGQ-AATRIKPKSA-N
Molecular Weight 383.418 g/mol
SMILES c12[n](S(c3ccc(cc3)C)(=O)=O)c(cc1cc1c(c2)OCO1)\C=C\C(=O)C
SPLASH splash10-004l-4294000000-dd5e7545a0bde7e05c38
Source of Spectrum U1-2014-2513-3n
Synonyms (E)-4-(5-tosyl-5H-[1,3]dioxolo[4,5-f]indol-6-yl)but-3-en-2-one
Wiley ID 1740800