| SpectraBase Spectrum ID |
4qSAE5O2Yac |
| Name |
(6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(4-isopropylbenzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-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/C22H18N4O3S/c1-12(2)14-5-3-13(4-6-14)9-16-19(23)26-22(24-20(16)27)30-21(25-26)15-7-8-17-18(10-15)29-11-28-17/h3-10,12,23H,11H2,1-2H3/b16-9-,23-19? |
| InChIKey |
KRLUTJWEVVZMJQ-NJOZZACWSA-N |
| NMR Offset |
15.328 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_36227_25828 |
| 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: D61647; Labnumber: CEP4-3512; SBI_ID: SBI-025832 |
| Synonyms |
2-(1,3-benzodioxol-5-yl)-5-imino-6-(4-isopropylbenzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| Temperature |
318 °C |
![(6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(4-isopropylbenzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one](/api/spectrum/4qSAE5O2Yac/structure.png?h=300&w=458 "(6Z)-2-(1,3-benzodioxol-5-yl)-5-imino-6-(4-isopropylbenzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
