![N-[4-(1-azepanylsulfonyl)phenyl]-2-cyclohexyl-3-oxo-4-isoindolinecarboxamide](/api/spectrum/LbabmZoRGlm/structure.png?h=300&w=458 "N-[4-(1-azepanylsulfonyl)phenyl]-2-cyclohexyl-3-oxo-4-isoindolinecarboxamide")
| SpectraBase Compound ID | 3WDeNvhuO8J |
|---|---|
| InChI | InChI=1S/C27H33N3O4S/c31-26(24-12-8-9-20-19-30(27(32)25(20)24)22-10-4-3-5-11-22)28-21-13-15-23(16-14-21)35(33,34)29-17-6-1-2-7-18-29/h8-9,12-16,22H,1-7,10-11,17-19H2,(H,28,31) |
| InChIKey | CHVFYGRJGHTURV-UHFFFAOYSA-N |
| Mol Weight | 495.6 g/mol |
| Molecular Formula | C27H33N3O4S |
| Exact Mass | 495.219178 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | LbabmZoRGlm |
|---|---|
| Name | N-[4-(1-azepanylsulfonyl)phenyl]-2-cyclohexyl-3-oxo-4-isoindolinecarboxamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 495.219177725 u |
| Formula | C27H33N3O4S |
| InChI | InChI=1S/C27H33N3O4S/c31-26(24-12-8-9-20-19-30(27(32)25(20)24)22-10-4-3-5-11-22)28-21-13-15-23(16-14-21)35(33,34)29-17-6-1-2-7-18-29/h8-9,12-16,22H,1-7,10-11,17-19H2,(H,28,31) |
| InChIKey | CHVFYGRJGHTURV-UHFFFAOYSA-N |
| Molecular Weight | 495.638 g/mol |
| NMR Offset | 18.0059 |
| NMR Spectrometer Frequency | 300.135 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_8882 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12669100 |
| Temperature | 23.85 °C |