| SpectraBase Spectrum ID |
4VqoIkHEM4q |
| Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide |
| Author |
A.V.Yarkov, IPAC, Russia |
| Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI |
InChI=1S/C21H21N3O3S/c22-10-16-9-15-4-2-1-3-5-17(15)24-21(16)28-12-20(25)23-11-14-6-7-18-19(8-14)27-13-26-18/h6-9H,1-5,11-13H2,(H,23,25) |
| InChIKey |
MNWUNHJPSPMVME-UHFFFAOYSA-N |
| NMR Offset |
15.5012 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_36227_17750 |
| Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
| Sample State |
soluted |
| Solvent |
DMSO-d6 |
| Source File Reference |
VendorID: D29985; Labnumber: Shel-1-013; SBI_ID: SBI-017753 |
| Temperature |
315 °C |
![N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide](/api/spectrum/4VqoIkHEM4q/structure.png?h=300&w=458 "N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide")
