| SpectraBase Spectrum ID |
4IkXX7Xt3D7 |
| Name |
4-[(Z)-(5-imino-7-oxo-2-(3-pyridinyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 4-methylbenzoate |
| 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/C25H17N5O3S/c1-15-4-8-17(9-5-15)24(32)33-19-10-6-16(7-11-19)13-20-21(26)30-25(28-22(20)31)34-23(29-30)18-3-2-12-27-14-18/h2-14,26H,1H3/b20-13-,26-21? |
| InChIKey |
MDOIDYPHLFNBQG-HHGYXRTLSA-N |
| NMR Offset |
15.5012 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_36227_21584 |
| 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: D55101; Labnumber: CEP5-0318; SBI_ID: SBI-021588 |
| Synonyms |
4-[(5-imino-7-oxo-2-(3-pyridinyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 4-methylbenzoate |
| Temperature |
315 °C |
![4-[(Z)-(5-imino-7-oxo-2-(3-pyridinyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 4-methylbenzoate](/api/spectrum/4IkXX7Xt3D7/structure.png?h=300&w=458 "4-[(Z)-(5-imino-7-oxo-2-(3-pyridinyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 4-methylbenzoate")
