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(3E)-4-[8-Ethyl-6-(4-methyl-phenyl)sulfonyl-2,3-dihydro-6H-[1,4]-dioxino[2,3-f]indol-7-yl]-but-3-en-2-one
SpectraBase Compound ID KfZWBVmKyLB
InChI InChI=1S/C23H23NO5S/c1-4-18-19-13-22-23(29-12-11-28-22)14-21(19)24(20(18)10-7-16(3)25)30(26,27)17-8-5-15(2)6-9-17/h5-10,13-14H,4,11-12H2,1-3H3/b10-7+
InChIKey PKAXTLKWTVKMEP-JXMROGBWSA-N
Mol Weight 425.5 g/mol
Molecular Formula C23H23NO5S
Exact Mass 425.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VtgG3XCf0N
Name (3E)-4-[8-Ethyl-6-(4-methyl-phenyl)sulfonyl-2,3-dihydro-6H-[1,4]-dioxino[2,3-f]indol-7-yl]-but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23NO5S
InChI InChI=1S/C23H23NO5S/c1-4-18-19-13-22-23(29-12-11-28-22)14-21(19)24(20(18)10-7-16(3)25)30(26,27)17-8-5-15(2)6-9-17/h5-10,13-14H,4,11-12H2,1-3H3/b10-7+
InChIKey PKAXTLKWTVKMEP-JXMROGBWSA-N
Molecular Weight 425.499 g/mol
SMILES c1(S([n]2c(c(CC)c3c2cc2c(OCCO2)c3)\C=C\C(=O)C)(=O)=O)ccc(cc1)C
SPLASH splash10-00b9-1185900000-7da13d21ab98ec2fa541
Source of Spectrum U1-2014-2513-3m
Synonyms (3E)-4-[8-Ethyl-6-(4-methylphenyl)sulfonyl-2,3-dihydro-6H-[1,4]-dioxino[2,3-f]indol-7-yl]but-3-en-2-one (E)-4-(8-ethyl-6-tosyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-yl)but-3-en-2-one
Wiley ID 1740801