![3-azaspiro[5.5]undec-1-ene-1-carboxamide, 5-cyano-4-imino-2-[[2-oxo-2-(phenylamino)ethyl]thio]-](/api/spectrum/AVzrlUjeoZt/structure.png?h=300&w=458 "3-azaspiro[5.5]undec-1-ene-1-carboxamide, 5-cyano-4-imino-2-[[2-oxo-2-(phenylamino)ethyl]thio]-")
| SpectraBase Compound ID | KLtBDp10GGH |
|---|---|
| InChI | InChI=1S/C20H23N5O2S/c21-11-14-17(22)25-19(16(18(23)27)20(14)9-5-2-6-10-20)28-12-15(26)24-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-10,12H2,(H2,22,25)(H2,23,27)(H,24,26) |
| InChIKey | PAPKJMFOJWXCQB-UHFFFAOYSA-N |
| Mol Weight | 397.5 g/mol |
| Molecular Formula | C20H23N5O2S |
| Exact Mass | 397.157246 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | AVzrlUjeoZt |
|---|---|
| Name | 3-azaspiro[5.5]undec-1-ene-1-carboxamide, 5-cyano-4-imino-2-[[2-oxo-2-(phenylamino)ethyl]thio]- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.157246173 u |
| Formula | C20H23N5O2S |
| InChI | InChI=1S/C20H23N5O2S/c21-11-14-17(22)25-19(16(18(23)27)20(14)9-5-2-6-10-20)28-12-15(26)24-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-10,12H2,(H2,22,25)(H2,23,27)(H,24,26) |
| InChIKey | PAPKJMFOJWXCQB-UHFFFAOYSA-N |
| Molecular Weight | 397.497 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2017_11516 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/10261587; Lab Info: DVD; Lab Number: DVD-0000022 |