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(-)-3-{[2-(.beta.-N-Ethoxycarbonyl-N-methylaminoethyl)-4,5-methylenedioxyphenyl]hydroxymethyl}-6,7-dimethoxy-1(3H)-isobenzofuranone isomer

View entire compound with spectra: 1 MS (GC)

(-)-3-{[2-(.beta.-N-Ethoxycarbonyl-N-methylaminoethyl)-4,5-methylenedioxyphenyl]hydroxymethyl}-6,7-dimethoxy-1(3H)-isobenzofuranone isomer
SpectraBase Compound ID DVFVSbnfK2T
InChI InChI=1S/C24H27NO9/c1-5-31-24(28)25(2)9-8-13-10-17-18(33-12-32-17)11-15(13)20(26)21-14-6-7-16(29-3)22(30-4)19(14)23(27)34-21/h6-7,10-11,20-21,26H,5,8-9,12H2,1-4H3
InChIKey VQNSCOIOSVUUPW-UHFFFAOYSA-N
Mol Weight 473.48 g/mol
Molecular Formula C24H27NO9
Exact Mass 473.168581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NjI9ol1xIm
Name (-)-3-{[2-(.beta.-N-Ethoxycarbonyl-N-methylaminoethyl)-4,5-methylenedioxyphenyl]hydroxymethyl}-6,7-dimethoxy-1(3H)-isobenzofuranone isomer
Alternate Name(s) Ethyl 2-{6-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)(hydroxy)methyl]-1,3-benzodioxol-5-yl}ethyl(methyl)carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27NO9
InChI InChI=1S/C24H27NO9/c1-5-31-24(28)25(2)9-8-13-10-17-18(33-12-32-17)11-15(13)20(26)21-14-6-7-16(29-3)22(30-4)19(14)23(27)34-21/h6-7,10-11,20-21,26H,5,8-9,12H2,1-4H3
InChIKey VQNSCOIOSVUUPW-UHFFFAOYSA-N
Molecular Weight 473.478 g/mol
SMILES OC(c1c(cc2c(c1)OCO2)CCN(C(=O)OCC)C)C1c2c(C(O1)=O)c(c(cc2)OC)OC
SPLASH splash10-0a7i-0980000000-97b6d7fd2a119467af2b
Source of Spectrum E1-39-1948-14
Wiley ID 1518922