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(+)-(S)-5-(2,4-Dimethyl-5-(ethoxycarbonyl)-1H-pyrrol-3-yl)hexanoic acid
SpectraBase Compound ID 3pVXniglZOZ
InChI InChI=1S/C15H23NO4/c1-5-20-15(19)14-10(3)13(11(4)16-14)9(2)7-6-8-12(17)18/h9,16H,5-8H2,1-4H3,(H,17,18)/t9-/m0/s1
InChIKey TYZFOSNIQQMCQX-VIFPVBQESA-N
Mol Weight 281.35 g/mol
Molecular Formula C15H23NO4
Exact Mass 281.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ezXLLCx1Je
Name (+)-(S)-5-(2,4-Dimethyl-5-(ethoxycarbonyl)-1H-pyrrol-3-yl)hexanoic acid
Alternate Name(s) (5S)-5-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]hexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H23NO4
InChI InChI=1S/C15H23NO4/c1-5-20-15(19)14-10(3)13(11(4)16-14)9(2)7-6-8-12(17)18/h9,16H,5-8H2,1-4H3,(H,17,18)/t9-/m0/s1
InChIKey TYZFOSNIQQMCQX-VIFPVBQESA-N
Molecular Weight 281.352 g/mol
SMILES OC(CCC[C@@](c1c(c([nH]c1C)C(=O)OCC)C)(C)[H])=O
SPLASH splash10-0007-0910000000-00dd8634896c2b54438c
Source of Spectrum C-117-8735-12
Wiley ID 758969