SpectraBase Spectrum ID |
4zc7ZcbPgI5 |
Name |
1H-pyrazole-4-carboxylic acid, 5-methyl-1,3-diphenyl-, 2-[[5,6-dihydro-3-(methoxycarbonyl)-4H-cyclopenta[b]thien-2-yl]amino]-2-oxoethyl ester |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
515.151492086 u |
Formula |
C28H25N3O5S |
InChI |
InChI=1S/C28H25N3O5S/c1-17-23(25(18-10-5-3-6-11-18)30-31(17)19-12-7-4-8-13-19)28(34)36-16-22(32)29-26-24(27(33)35-2)20-14-9-15-21(20)37-26/h3-8,10-13H,9,14-16H2,1-2H3,(H,29,32) |
InChIKey |
BUBNXBZVEJPKFQ-UHFFFAOYSA-N |
Molecular Weight |
515.584 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_3752 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9245348; Lab Info: PNA; Lab Number: PNA-NA00327 |
Temperature |
29.85 °C |