SpectraBase Compound ID | IfDD1JoMDDc |
---|---|
InChI | InChI=1S/C13H17N3O3S2/c1-19-12(18)10-9(4-7-21-10)15-13(20)16-5-2-8(3-6-16)11(14)17/h4,7-8H,2-3,5-6H2,1H3,(H2,14,17)(H,15,20) |
InChIKey | HHDDJVVDNMHSGL-UHFFFAOYSA-N |
Mol Weight | 327.42 g/mol |
Molecular Formula | C13H17N3O3S2 |
Exact Mass | 327.071134 g/mol |
SpectraBase Spectrum ID | ExjgHUxAm3l |
---|---|
Name | methyl 3-({[4-(aminocarbonyl)-1-piperidinyl]carbothioyl}amino)-2-thiophenecarboxylate |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 327.071133764 u |
Formula | C13H17N3O3S2 |
InChI | InChI=1S/C13H17N3O3S2/c1-19-12(18)10-9(4-7-21-10)15-13(20)16-5-2-8(3-6-16)11(14)17/h4,7-8H,2-3,5-6H2,1H3,(H2,14,17)(H,15,20) |
InChIKey | HHDDJVVDNMHSGL-UHFFFAOYSA-N |
Molecular Weight | 327.417 g/mol |
NMR Offset | 18.9622 |
NMR Spectrometer Frequency | 500.137 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_9269 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13229127 |