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1,3-Benzodioxole-5-methanol, 6-[2-(dimethylamino)ethyl]-.alpha.-[2-(3-hydroxy-4-methoxyphenyl)-1,3-dithian-2-yl]-
SpectraBase Compound ID 6ucsClFqMoZ
InChI InChI=1S/C23H29NO5S2/c1-24(2)8-7-15-11-20-21(29-14-28-20)13-17(15)22(26)23(30-9-4-10-31-23)16-5-6-19(27-3)18(25)12-16/h5-6,11-13,22,25-26H,4,7-10,14H2,1-3H3
InChIKey MITKGTLAHWGILN-UHFFFAOYSA-N
Mol Weight 463.61 g/mol
Molecular Formula C23H29NO5S2
Exact Mass 463.148715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Bs3Uu3unKn
Name 1,3-Benzodioxole-5-methanol, 6-[2-(dimethylamino)ethyl]-.alpha.-[2-(3-hydroxy-4-methoxyphenyl)-1,3-dithian-2-yl]-
CAS Registry Number 110815-89-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29NO5S2
InChI InChI=1S/C23H29NO5S2/c1-24(2)8-7-15-11-20-21(29-14-28-20)13-17(15)22(26)23(30-9-4-10-31-23)16-5-6-19(27-3)18(25)12-16/h5-6,11-13,22,25-26H,4,7-10,14H2,1-3H3
InChIKey MITKGTLAHWGILN-UHFFFAOYSA-N
Molecular Weight 463.607 g/mol
SMILES OC(C1(c2cc(c(cc2)OC)O)SCCCS1)c1cc2OCOc2cc1CCN(C)C
SPLASH splash10-0a4i-9000000000-fcf5e2747bd8b0b57aa4
Source of Spectrum F-42-6671-5
Synonyms 2-Hydroxy-2-(2-[.beta.-(N,N-dimethyl)aminoethyl]-4,5-methylenedioxyphenyl)-1-(3-droxy-4-methoxyphenyl)-ethanone 1,3-propylenedithioacetal 5-{2-[{6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl}(hydroxy)methyl]-1,3-dithian-2-yl}-2-methoxyphenol
Wiley ID 1391293