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Benzenepropanoic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-.beta.,2,5-trimethoxy-.alpha.-methyl-, methyl ester, [R-(R*,R*)]-
SpectraBase Compound ID 4TA56wsUmKz
InChI InChI=1S/C20H27NO5/c1-12-8-9-13(2)21(12)17-11-15(23-4)10-16(19(17)25-6)18(24-5)14(3)20(22)26-7/h8-11,14,18H,1-7H3/t14-,18-/m1/s1
InChIKey HEIGBJGUSAGZST-RDTXWAMCSA-N
Mol Weight 361.44 g/mol
Molecular Formula C20H27NO5
Exact Mass 361.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxRzNbVS0uw
Name Benzenepropanoic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-.beta.,2,5-trimethoxy-.alpha.-methyl-, methyl ester, [R-(R*,R*)]-
Alternate Name(s) Methyl (2R,3R)-3-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2,5-dimethoxyphenyl]-3-methoxy-2-methylpropanoate Methyl 3-[2,5-dimethoxy-3-(2',5'-dimethylpyrrolyl)-phenyl]-3-methoxy-2-methylpropanoate
CAS Registry Number 115820-54-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO5
InChI InChI=1S/C20H27NO5/c1-12-8-9-13(2)21(12)17-11-15(23-4)10-16(19(17)25-6)18(24-5)14(3)20(22)26-7/h8-11,14,18H,1-7H3/t14-,18-/m1/s1
InChIKey HEIGBJGUSAGZST-RDTXWAMCSA-N
Molecular Weight 361.438 g/mol
SMILES c1(-[n]2c(ccc2C)C)c(c([C@@]([C@](C(=O)OC)(C)[H])(OC)[H])cc(c1)OC)OC
SPLASH splash10-03k9-0059000000-34bf6fec9c09cbc4e51c
Source of Spectrum KC-1990-57-25
Wiley ID 1349008