| SpectraBase Spectrum ID |
BkFqa2ITHcJ |
| Name |
4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| 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/C20H17N3O3S/c1-12-18-19(13-7-8-15-16(9-13)26-11-25-15)27-10-17(24)21-20(18)23(22-12)14-5-3-2-4-6-14/h2-9,19H,10-11H2,1H3,(H,21,24) |
| InChIKey |
DKCLEHZJYQYLJP-UHFFFAOYSA-N |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_36227_20092 |
| 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: D18361; Labnumber: AMIR2-0758; SBI_ID: SBI-020096 |
| Temperature |
306 °C |
![4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one](/api/spectrum/BkFqa2ITHcJ/structure.png?h=300&w=458 "4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one")
