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(S)-3-[2',4'-Dimethyl-5'-(ethoxycarbonyl)-1H-pyrrol-3'-yl]-butyl-Iodide
SpectraBase Compound ID 3HA3UltJFco
InChI InChI=1S/C13H20INO2/c1-5-17-13(16)12-9(3)11(10(4)15-12)8(2)6-7-14/h8,15H,5-7H2,1-4H3/t8-/m0/s1
InChIKey YCTBYCFGTKGGJM-QMMMGPOBSA-N
Mol Weight 349.21 g/mol
Molecular Formula C13H20INO2
Exact Mass 349.053874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GuPa5RdFGNf
Name (S)-3-[2',4'-Dimethyl-5'-(ethoxycarbonyl)-1H-pyrrol-3'-yl]-butyl-Iodide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20INO2
InChI InChI=1S/C13H20INO2/c1-5-17-13(16)12-9(3)11(10(4)15-12)8(2)6-7-14/h8,15H,5-7H2,1-4H3/t8-/m0/s1
InChIKey YCTBYCFGTKGGJM-QMMMGPOBSA-N
Molecular Weight 349.212 g/mol
SMILES [nH]1c(c(c(c1C(=O)OCC)C)[C@](CCI)(C)[H])C
SPLASH splash10-0005-0900000000-200602e8e0b7a096cff8
Source of Spectrum C-117-8735-19
Synonyms (+)-(S)-3-(2,4-Dimethyl-5-(ethoxycarbonyl)-1H-pyrrol-3-yl)butyl iodide Ethyl 4-[(1S)-3-iodo-1-methylpropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1697987