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leucine, N-[[[5-(2-propenyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]acetyl]-, methyl ester
SpectraBase Compound ID LIQOJaRaN6
InChI InChI=1S/C21H25N5O3S/c1-5-10-26-16-9-7-6-8-14(16)18-19(26)23-21(25-24-18)30-12-17(27)22-15(11-13(2)3)20(28)29-4/h5-9,13,15H,1,10-12H2,2-4H3,(H,22,27)
InChIKey BSIPRKCTCKFJRU-UHFFFAOYSA-N
Mol Weight 427.52 g/mol
Molecular Formula C21H25N5O3S
Exact Mass 427.167811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KL6LNwZPqsk
Name leucine, N-[[[5-(2-propenyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]acetyl]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.167810856 u
Formula C21H25N5O3S
InChI InChI=1S/C21H25N5O3S/c1-5-10-26-16-9-7-6-8-14(16)18-19(26)23-21(25-24-18)30-12-17(27)22-15(11-13(2)3)20(28)29-4/h5-9,13,15H,1,10-12H2,2-4H3,(H,22,27)
InChIKey BSIPRKCTCKFJRU-UHFFFAOYSA-N
Molecular Weight 427.523 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1860
Solvent DMSO-d6
Source Vendor ID: ZI/8165884; Lab Info: L-23,Ezhova; Lab Number: L-23/0006549