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Carbamic acid, [2-[6-[[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]hydroxymethyl]-1,3-b enzodioxol-5-yl]ethyl]methyl-, ethyl ester

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Carbamic acid, [2-[6-[[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]hydroxymethyl]-1,3-b enzodioxol-5-yl]ethyl]methyl-, ethyl ester
SpectraBase Compound ID 8UGiRI6BLW0
InChI InChI=1S/C26H33NO7S2/c1-5-34-26(35-11-6-12-36-26)27(2)10-9-17-13-22-23(33-16-32-22)15-19(17)25(29)24(28)18-7-8-20(30-3)21(14-18)31-4/h7-8,13-15,25,29H,5-6,9-12,16H2,1-4H3
InChIKey DFSXRTQEEVIPGW-UHFFFAOYSA-N
Mol Weight 535.7 g/mol
Molecular Formula C26H33NO7S2
Exact Mass 535.169845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FY8WHU3ZXc
Name Carbamic acid, [2-[6-[[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]hydroxymethyl]-1,3-b enzodioxol-5-yl]ethyl]methyl-, ethyl ester
CAS Registry Number 102349-11-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33NO7S2
InChI InChI=1S/C26H33NO7S2/c1-5-34-26(35-11-6-12-36-26)27(2)10-9-17-13-22-23(33-16-32-22)15-19(17)25(29)24(28)18-7-8-20(30-3)21(14-18)31-4/h7-8,13-15,25,29H,5-6,9-12,16H2,1-4H3
InChIKey DFSXRTQEEVIPGW-UHFFFAOYSA-N
Molecular Weight 535.670 g/mol
SMILES OC(C(c1cc(OC)c(cc1)OC)=O)c1c(CCN(C2(SCCCS2)OCC)C)cc2c(OCO2)c1
SPLASH splash10-0a4i-0190000000-98bd0b2f4974a5a88f4f
Source of Spectrum F-41-2887-0
Synonyms 1,3-Dithiane, carbamic acid deriv. 1-(3,4-dimethoxyphenyl)-2-(6-{2-[(2-ethoxy-1,3-dithian-2-yl)(methyl)amino]ethyl}-1,3-benzodioxol-5-yl)-2-hydroxyethanone 2-Hydroxy-1-(3,4-dimethoxyphenyl)-2-(2-[.beta.-(n-ethoxycarbonyl-N-methyl)aminoethyl]-4,5-methylenedioxyphenyl)-ethanone 1,3-propylenedithioacetal
Wiley ID 1403936