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Carbamic acid, [2-[6-[[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]hydroxymethyl]-1,3- benzodioxol-5-yl]ethyl]methyl-, ethyl ester

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Carbamic acid, [2-[6-[[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]hydroxymethyl]-1,3- benzodioxol-5-yl]ethyl]methyl-, ethyl ester
SpectraBase Compound ID BjnPCt8KFwl
InChI InChI=1S/C25H29NO7S2/c1-3-29-24(28)26(2)8-7-16-11-20-22(33-15-31-20)13-18(16)23(27)25(34-9-4-10-35-25)17-5-6-19-21(12-17)32-14-30-19/h5-6,11-13,23,27H,3-4,7-10,14-15H2,1-2H3
InChIKey UFNNXEDQLVVCOI-UHFFFAOYSA-N
Mol Weight 519.63 g/mol
Molecular Formula C25H29NO7S2
Exact Mass 519.138545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PZPryV0wzx
Name Carbamic acid, [2-[6-[[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]hydroxymethyl]-1,3- benzodioxol-5-yl]ethyl]methyl-, ethyl ester
Alternate Name(s) 1,3-Dithiane, carbamic acid deriv. 2-Hydroxy-2-(2-[.beta.-(n-ethoxycarbonyl-N-methyl)aminoethyl]-4,5-methylenedioxyphenyl)-ethanone 1,3-propylenedithioacetal Ethyl 2-{6-[[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl](hydroxy)methyl]-1,3-benzodioxol-5-yl}ethyl(methyl)carbamate
CAS Registry Number 102349-10-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29NO7S2
InChI InChI=1S/C25H29NO7S2/c1-3-29-24(28)26(2)8-7-16-11-20-22(33-15-31-20)13-18(16)23(27)25(34-9-4-10-35-25)17-5-6-19-21(12-17)32-14-30-19/h5-6,11-13,23,27H,3-4,7-10,14-15H2,1-2H3
InChIKey UFNNXEDQLVVCOI-UHFFFAOYSA-N
Molecular Weight 519.627 g/mol
SMILES OC(c1c(cc2c(c1)OCO2)CCN(C(=O)OCC)C)C1(c2cc3OCOc3cc2)SCCCS1
SPLASH splash10-0019-0190000000-53d6cd4bf5458a9e3e5f
Source of Spectrum F-41-2887-0
Wiley ID 1401817