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2-Amino-N-benzyl-3-(1H-indol-3-yl)propanamide, 3tms derivative
SpectraBase Compound ID 8TtyYYhFNvS
InChI InChI=1S/C27H43N3OSi3/c1-32(2,3)29-21-23(24-17-13-14-18-25(24)29)19-26(30(33(4,5)6)34(7,8)9)27(31)28-20-22-15-11-10-12-16-22/h10-18,21,26H,19-20H2,1-9H3,(H,28,31)
InChIKey NTZFZUDTIAFUNN-UHFFFAOYSA-N
Mol Weight 509.9 g/mol
Molecular Formula C27H43N3OSi3
Exact Mass 509.271393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EM5GjM3VJEa
Name 2-Amino-N-benzyl-3-(1H-indol-3-yl)propanamide, 3tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 509.271392621 u
Formula C27H43N3OSi3
InChI InChI=1S/C27H43N3OSi3/c1-32(2,3)29-21-23(24-17-13-14-18-25(24)29)19-26(30(33(4,5)6)34(7,8)9)27(31)28-20-22-15-11-10-12-16-22/h10-18,21,26H,19-20H2,1-9H3,(H,28,31)
InChIKey NTZFZUDTIAFUNN-UHFFFAOYSA-N
Molecular Weight 509.916 g/mol
SMILES C1=2N(C=C(C2C=CC=C1)CC(N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC1=CC=CC=C1)[Si](C)(C)C