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Carbamic acid, [2-[6-[hydroxy[2-(3-hydroxy-4-methoxyphenyl)-1,3-dithian-2-yl]methyl]-1,3-benzodioxol-5-yl]ethyl]methyl-, ethyl ester
SpectraBase Compound ID ElwisNw0pSN
InChI InChI=1S/C25H31NO7S2/c1-4-31-24(29)26(2)9-8-16-12-21-22(33-15-32-21)14-18(16)23(28)25(34-10-5-11-35-25)17-6-7-20(30-3)19(27)13-17/h6-7,12-14,23,27-28H,4-5,8-11,15H2,1-3H3
InChIKey LRBGUSHMBAUQEA-UHFFFAOYSA-N
Mol Weight 521.64 g/mol
Molecular Formula C25H31NO7S2
Exact Mass 521.154195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6g1nFClTnjh
Name Carbamic acid, [2-[6-[hydroxy[2-(3-hydroxy-4-methoxyphenyl)-1,3-dithian-2-yl]methyl]-1,3-benzodioxol-5-yl]ethyl]methyl-, ethyl ester
CAS Registry Number 110838-55-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO7S2
InChI InChI=1S/C25H31NO7S2/c1-4-31-24(29)26(2)9-8-16-12-21-22(33-15-32-21)14-18(16)23(28)25(34-10-5-11-35-25)17-6-7-20(30-3)19(27)13-17/h6-7,12-14,23,27-28H,4-5,8-11,15H2,1-3H3
InChIKey LRBGUSHMBAUQEA-UHFFFAOYSA-N
Molecular Weight 521.643 g/mol
SMILES OC(C1(c2cc(c(cc2)OC)O)SCCCS1)c1c(cc2c(c1)OCO2)CCN(C(=O)OCC)C
SPLASH splash10-0006-3390000000-904795f8b5c7eec2a96a
Source of Spectrum F-42-6671-4
Synonyms 2-Hydroxy-2(2-[.beta.-(n-ethoxycardonyl-N-methyl)aminoethyl]-4,5-methylenedioxyphenyl)-1-(3-hydroxy-4-methoxyphenyl)ethanone 1,3-propylenedithioacetal Ethyl 2-(6-{hydroxy[2-(3-hydroxy-4-methoxyphenyl)-1,3-dithian-2-yl]methyl}-1,3-benzodioxol-5-yl)ethyl(methyl)carbamate
Wiley ID 1402107