![[(4-methyl-5-undecyl-4H-1,2,4-triazol-3-yl)thio]acetic acid, ethyl ester](/api/spectrum/H4GAZoqfoU6/structure.png?h=300&w=458 "[(4-methyl-5-undecyl-4H-1,2,4-triazol-3-yl)thio]acetic acid, ethyl ester")
| SpectraBase Compound ID | wZfXD9MWPB |
|---|---|
| InChI | InChI=1S/C18H33N3O2S/c1-4-6-7-8-9-10-11-12-13-14-16-19-20-18(21(16)3)24-15-17(22)23-5-2/h4-15H2,1-3H3 |
| InChIKey | RQIBDMOUBRDYSX-UHFFFAOYSA-N |
| Mol Weight | 355.5 g/mol |
| Molecular Formula | C18H33N3O2S |
| Exact Mass | 355.229348 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H4GAZoqfoU6 |
|---|---|
| Name | [(4-methyl-5-undecyl-4H-1,2,4-triazol-3-yl)thio]acetic acid, ethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H33N3O2S |
| InChI | InChI=1S/C18H33N3O2S/c1-4-6-7-8-9-10-11-12-13-14-16-19-20-18(21(16)3)24-15-17(22)23-5-2/h4-15H2,1-3H3 |
| InChIKey | RQIBDMOUBRDYSX-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 48655M |
| Solvent | CDCl3 |