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11DGTe4aOok
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11DGTe4aOok
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13C NMR
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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(2S,3S)-2-(allyloxycarbonylamino)-3-(1-benzylindol-3-yl)glutaric acid
SpectraBase Compound ID JQVwX8lVu3r
InChI InChI=1S/C24H24N2O6/c1-2-12-32-24(31)25-22(23(29)30)18(13-21(27)28)19-15-26(14-16-8-4-3-5-9-16)20-11-7-6-10-17(19)20/h2-11,15,18,22H,1,12-14H2,(H,25,31)(H,27,28)(H,29,30)/t18-,22-/m0/s1
InChIKey BMXOGXCYAAERHR-AVRDEDQJSA-N
Mol Weight 436.46 g/mol
Molecular Formula C24H24N2O6
Exact Mass 436.163436 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11DGTe4aOok
Name (2S,3S)-2-(Allyloxycarbonylamino)-3-(1-benzylindol-3-yl)glutaric acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.163436495 u
Formula C24H24N2O6
InChI InChI=1S/C24H24N2O6/c1-2-12-32-24(31)25-22(23(29)30)18(13-21(27)28)19-15-26(14-16-8-4-3-5-9-16)20-11-7-6-10-17(19)20/h2-11,15,18,22H,1,12-14H2,(H,25,31)(H,27,28)(H,29,30)/t18-,22-/m0/s1
InChIKey BMXOGXCYAAERHR-AVRDEDQJSA-N
Molecular Weight 436.464 g/mol
SMILES C1(=CN(CC2=CC=CC=C2)C2=C1C=CC=C2)[C@@]([C@](NC(=O)OCC=C)(C(=O)O)[H])(CC(=O)O)[H]
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