SpectraBase Spectrum ID |
4jJ397NFdYw |
Name |
methyl 2-[({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
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/C21H23N5O6S/c1-10-18(26(29)30)11(2)25(23-10)9-14-12(3)32-24-17(14)19(27)22-20-16(21(28)31-4)13-7-5-6-8-15(13)33-20/h5-9H2,1-4H3,(H,22,27) |
InChIKey |
QOYWPSKOQVNNKX-UHFFFAOYSA-N |
NMR Offset |
17.9121 |
NMR Spectrometer Frequency |
500.077 |
Observed nucleus |
1H |
Origin |
1H_SBI_36227_33186 |
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: 1912174; SBI_ID: SBI-033190 |
Temperature |
303 °C |