![2-{[4-(3-methoxypropyl)-5-(2-methyl-4-thiazolyl-4H-1,2,4-triazol-3-yl]thio}-3'-nitroacetophenone](/api/spectrum/BR0QrivUWRj/structure.png?h=300&w=458 "2-{[4-(3-methoxypropyl)-5-(2-methyl-4-thiazolyl-4H-1,2,4-triazol-3-yl]thio}-3'-nitroacetophenone")
| SpectraBase Compound ID | IRxThb2sJAL |
|---|---|
| InChI | InChI=1S/C18H19N5O4S2/c1-12-19-15(10-28-12)17-20-21-18(22(17)7-4-8-27-2)29-11-16(24)13-5-3-6-14(9-13)23(25)26/h3,5-6,9-10H,4,7-8,11H2,1-2H3 |
| InChIKey | ABORMTBKFQHIGP-UHFFFAOYSA-N |
| Mol Weight | 433.5 g/mol |
| Molecular Formula | C18H19N5O4S2 |
| Exact Mass | 433.087846 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BR0QrivUWRj |
|---|---|
| Name | 2-{[4-(3-methoxypropyl)-5-(2-methyl-4-thiazolyl-4H-1,2,4-triazol-3-yl]thio}-3'-nitroacetophenone |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H19N5O4S2 |
| InChI | InChI=1S/C18H19N5O4S2/c1-12-19-15(10-28-12)17-20-21-18(22(17)7-4-8-27-2)29-11-16(24)13-5-3-6-14(9-13)23(25)26/h3,5-6,9-10H,4,7-8,11H2,1-2H3 |
| InChIKey | ABORMTBKFQHIGP-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 58566M |
| Solvent | CDCl3 |