| SpectraBase Spectrum ID |
J8M5vTbwki1 |
| Name |
7-[(2E)-3-chloro-2-butenyl]-8-hexahydro-1H-azepin-1-yl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| 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/C17H24ClN5O2/c1-12(18)8-11-23-13-14(20(2)17(25)21(3)15(13)24)19-16(23)22-9-6-4-5-7-10-22/h8H,4-7,9-11H2,1-3H3/b12-8+ |
| InChIKey |
QRXRVWFDWJXAOS-XYOKQWHBSA-N |
| NMR Offset |
15.449 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_36227_25059 |
| 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: D49476; Labnumber: UZROM-3813; SBI_ID: SBI-025063 |
| Synonyms |
7-[3-chloro-2-butenyl]-8-hexahydro-1H-azepin-1-yl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Temperature |
308 °C |
![7-[(2E)-3-chloro-2-butenyl]-8-hexahydro-1H-azepin-1-yl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/J8M5vTbwki1/structure.png?h=300&w=458 "7-[(2E)-3-chloro-2-butenyl]-8-hexahydro-1H-azepin-1-yl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione")
