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1H-Pyrrole-2-carboxylic acid, 5-[[3,4-dihydro-3,3-dimethyl-5-(methylthio)-2H-pyrrol-2-yl]methyl]-3,4-dimethyl-, 1,1-dimethylethyl ester

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1H-Pyrrole-2-carboxylic acid, 5-[[3,4-dihydro-3,3-dimethyl-5-(methylthio)-2H-pyrrol-2-yl]methyl]-3,4-dimethyl-, 1,1-dimethylethyl ester
SpectraBase Compound ID 8nFBuCayFfg
InChI InChI=1S/C19H30N2O2S/c1-11-12(2)16(17(22)23-18(3,4)5)20-13(11)9-14-19(6,7)10-15(21-14)24-8/h14,20H,9-10H2,1-8H3
InChIKey ASUAXXXRSRZKSY-UHFFFAOYSA-N
Mol Weight 350.52 g/mol
Molecular Formula C19H30N2O2S
Exact Mass 350.202799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qUtEjlTyys
Name 1H-Pyrrole-2-carboxylic acid, 5-[[3,4-dihydro-3,3-dimethyl-5-(methylthio)-2H-pyrrol-2-yl]methyl]-3,4-dimethyl-, 1,1-dimethylethyl ester
CAS Registry Number 113661-55-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30N2O2S
InChI InChI=1S/C19H30N2O2S/c1-11-12(2)16(17(22)23-18(3,4)5)20-13(11)9-14-19(6,7)10-15(21-14)24-8/h14,20H,9-10H2,1-8H3
InChIKey ASUAXXXRSRZKSY-UHFFFAOYSA-N
Molecular Weight 350.521 g/mol
SMILES [nH]1c(c(c(c1CC1N=C(SC)CC1(C)C)C)C)C(OC(C)(C)C)=O
SPLASH splash10-0gb9-0096000000-b82c642cba9da3f652a2
Source of Spectrum KC-1987-1672-24
Synonyms 5-(3,4-Dimethyl-5-t-butoxycarbonylpyrrol-2-ylmethyl)-3,4-dihydro-2-methylthio-4,4-dimethylpyrrole tert-Butyl 5-{[3,3-dimethyl-5-(methylsulfanyl)-3,4-dihydro-2H-pyrrol-2-yl]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1341940