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1,3-Benzodioxole-4-carboxylic acid, 5-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]-1-(propylthio)ethenyl]-
SpectraBase Compound ID BrVivHjAtUi
InChI InChI=1S/C24H27NO6S/c1-4-9-32-21(17-5-6-18-23(31-14-28-18)22(17)24(26)27)12-16-11-20-19(29-13-30-20)10-15(16)7-8-25(2)3/h5-6,10-12H,4,7-9,13-14H2,1-3H3,(H,26,27)/b21-12+
InChIKey LTDQHLIASOGVSG-CIAFOILYSA-N
Mol Weight 457.54 g/mol
Molecular Formula C24H27NO6S
Exact Mass 457.155909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GT17Q5fZqE
Name 1,3-Benzodioxole-4-carboxylic acid, 5-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]-1-(propylthio)ethenyl]-
CAS Registry Number 110527-60-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27NO6S
InChI InChI=1S/C24H27NO6S/c1-4-9-32-21(17-5-6-18-23(31-14-28-18)22(17)24(26)27)12-16-11-20-19(29-13-30-20)10-15(16)7-8-25(2)3/h5-6,10-12H,4,7-9,13-14H2,1-3H3,(H,26,27)/b21-12+
InChIKey LTDQHLIASOGVSG-CIAFOILYSA-N
Molecular Weight 457.541 g/mol
SMILES OC(c1c(\C(=C/c2c(cc3c(c2)OCO3)CCN(C)C)SCCC)ccc2c1OCO2)=O
SPLASH splash10-0a4i-9011000000-576f7d5f264d0e6becbb
Source of Spectrum F-42-6025-9
Synonyms 2-(2'-[(N,N-dimethyl)aminoethyl]-4',5'-methylenedioxyphenyl)-1-(2''-carboxy-3'',4''-methyllenedioxyphenyl)-1-propylthioethene 5-[(E)-2-{6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl}-1-(propylsulfanyl)ethenyl]-1,3-benzodioxole-4-carboxylic acid
Wiley ID 1389618