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Methyl N-(1,3-dioxolan-2-yl)butylidenetryptophanate

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Methyl N-(1,3-dioxolan-2-yl)butylidenetryptophanate
SpectraBase Compound ID ByleWDwoYAs
InChI InChI=1S/C19H24N2O4/c1-23-19(22)17(20-9-5-4-8-18-24-10-11-25-18)12-14-13-21-16-7-3-2-6-15(14)16/h2-3,6-7,9,13,17-18,21H,4-5,8,10-12H2,1H3/b20-9+/t17-/m0/s1
InChIKey AUYBUZUKGYEITA-WZIKDTQPSA-N
Mol Weight 344.41 g/mol
Molecular Formula C19H24N2O4
Exact Mass 344.173607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kfo0FbiwnTJ
Name Methyl N-(1,3-dioxolan-2-yl)butylidenetryptophanate
Comments Computed using HOSE algorithm
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Exact Mass 344.173607257 u
Formula C19H24N2O4
InChI InChI=1S/C19H24N2O4/c1-23-19(22)17(20-9-5-4-8-18-24-10-11-25-18)12-14-13-21-16-7-3-2-6-15(14)16/h2-3,6-7,9,13,17-18,21H,4-5,8,10-12H2,1H3/b20-9+/t17-/m0/s1
InChIKey AUYBUZUKGYEITA-WZIKDTQPSA-N
Molecular Weight 344.411 g/mol
SMILES C1(=CNC=2C1=CC=CC2)C[C@@](C(=O)OC)(\N=C\CCCC1OCCO1)[H]