SpectraBase Compound ID | AGKbMxgGQOm |
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InChI | InChI=1S/C27H30N4O2S/c1-4-33-22-7-5-21(6-8-22)30-27(34)31(18-20-11-14-28-15-12-20)16-13-24-19(2)29-26-10-9-23(32-3)17-25(24)26/h5-12,14-15,17,29H,4,13,16,18H2,1-3H3,(H,30,34) |
InChIKey | IYWNJOVXNIQXAA-UHFFFAOYSA-N |
Mol Weight | 474.62 g/mol |
Molecular Formula | C27H30N4O2S |
Exact Mass | 474.208947 g/mol |
SpectraBase Spectrum ID | KICAr1RB1z2 |
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Name | N'-(4-ethoxyphenyl)-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-N-(4-pyridinylmethyl)thiourea |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 474.208947394 u |
Formula | C27H30N4O2S |
InChI | InChI=1S/C27H30N4O2S/c1-4-33-22-7-5-21(6-8-22)30-27(34)31(18-20-11-14-28-15-12-20)16-13-24-19(2)29-26-10-9-23(32-3)17-25(24)26/h5-12,14-15,17,29H,4,13,16,18H2,1-3H3,(H,30,34) |
InChIKey | IYWNJOVXNIQXAA-UHFFFAOYSA-N |
Molecular Weight | 474.623 g/mol |
NMR Offset | 17.9886 |
NMR Spectrometer Frequency | 500.132 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_8649 |
Solvent | CDCl3 |
Source | Vendor ID: NMR/13219940 |