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(-)-(2R,3S)-3-(3-ethyl-2,7,9-trimethyl-1-oxo-1,10-dihydrodipyrrin-8-yl)-2-methylbutanoic acid
SpectraBase Compound ID J7y3BD9o2bB
InChI InChI=1S/C19H26N2O3/c1-7-14-11(4)18(22)21-16(14)8-15-12(5)17(13(6)20-15)9(2)10(3)19(23)24/h8-10,20H,7H2,1-6H3,(H,21,22)(H,23,24)/b16-8-/t9-,10+/m0/s1
InChIKey UYUKEJHXFWFXJT-ZIKZLYJNSA-N
Mol Weight 330.43 g/mol
Molecular Formula C19H26N2O3
Exact Mass 330.194343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BvLdmWiQYPg
Name (-)-(2R,3S)-3-(3-ethyl-2,7,9-trimethyl-1-oxo-1,10-dihydrodipyrrin-8-yl)-2-methylbutanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.194342702 u
Formula C19H26N2O3
InChI InChI=1S/C19H26N2O3/c1-7-14-11(4)18(22)21-16(14)8-15-12(5)17(13(6)20-15)9(2)10(3)19(23)24/h8-10,20H,7H2,1-6H3,(H,21,22)(H,23,24)/b16-8-/t9-,10+/m0/s1
InChIKey UYUKEJHXFWFXJT-ZIKZLYJNSA-N
Molecular Weight 330.428 g/mol
SMILES C=1(NC(C)=C(C1C)[C@]([C@](C(=O)O)(C)[H])(C)[H])\C=C\1NC(=O)C(=C1CC)C