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2-Pentenoic acid, 5-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2,5-dimethoxyphenyl]-5-methoxy-4-methyl-, methyl ester, [R-[R*,S*-(E)]]-
SpectraBase Compound ID EcrvyoshI7Y
InChI InChI=1S/C22H29NO5/c1-14(8-11-20(24)26-5)21(27-6)18-12-17(25-4)13-19(22(18)28-7)23-15(2)9-10-16(23)3/h8-14,21H,1-7H3/b11-8+
InChIKey DGTZOGYNIZVJFK-DHZHZOJOSA-N
Mol Weight 387.48 g/mol
Molecular Formula C22H29NO5
Exact Mass 387.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4aAyWNgSsc
Name 2-Pentenoic acid, 5-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2,5-dimethoxyphenyl]-5-methoxy-4-methyl-, methyl ester, [R-[R*,S*-(E)]]-
CAS Registry Number 122911-33-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO5
InChI InChI=1S/C22H29NO5/c1-14(8-11-20(24)26-5)21(27-6)18-12-17(25-4)13-19(22(18)28-7)23-15(2)9-10-16(23)3/h8-14,21H,1-7H3/b11-8+
InChIKey DGTZOGYNIZVJFK-DHZHZOJOSA-N
Molecular Weight 387.476 g/mol
SMILES c1(-[n]2c(ccc2C)C)c(c(C(C(\C=C\C(=O)OC)C)OC)cc(c1)OC)OC
SPLASH splash10-00dr-0094000000-2c1a713d7bf080ac6da4
Source of Spectrum KC-1990-57-28
Synonyms (E)-Methyl 5-[2,5-dimethoxy-3-(2',5'-dimethylpyrrolyl)-phenyl]-5-methoxy-4-methyl-pent-2-enoate Methyl (2E)-5-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2,5-dimethoxyphenyl]-5-methoxy-4-methyl-2-pentenoate
Wiley ID 1363422