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(+)-(S)-7-(2,4-Dimethyl-5-(ethoxycarbonyl)-1H-pyrrol-3-yl)octanoic acid
SpectraBase Compound ID 7hBFisEHXxS
InChI InChI=1S/C17H27NO4/c1-5-22-17(21)16-12(3)15(13(4)18-16)11(2)9-7-6-8-10-14(19)20/h11,18H,5-10H2,1-4H3,(H,19,20)/t11-/m0/s1
InChIKey UBAISEREOGDUGM-NSHDSACASA-N
Mol Weight 309.41 g/mol
Molecular Formula C17H27NO4
Exact Mass 309.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDcdVEn1MJm
Name (+)-(S)-7-(2,4-Dimethyl-5-(ethoxycarbonyl)-1H-pyrrol-3-yl)octanoic acid
Alternate Name(s) (7S)-7-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]octanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27NO4
InChI InChI=1S/C17H27NO4/c1-5-22-17(21)16-12(3)15(13(4)18-16)11(2)9-7-6-8-10-14(19)20/h11,18H,5-10H2,1-4H3,(H,19,20)/t11-/m0/s1
InChIKey UBAISEREOGDUGM-NSHDSACASA-N
Molecular Weight 309.406 g/mol
SMILES OC(CCCCC[C@@](c1c(c([nH]c1C)C(=O)OCC)C)(C)[H])=O
SPLASH splash10-0007-0900000000-c5a517eeb4a7a2adad6d
Source of Spectrum C-117-8735-23
Wiley ID 758968