SpectraBase Spectrum ID |
sGXYIhc007 |
Name |
acetamide, N-(3-butoxyphenyl)-2-[[3-cyano-4-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
509.198442279 u |
Formula |
C27H31N3O5S |
InChI |
InChI=1S/C27H31N3O5S/c1-4-6-12-35-20-9-7-8-19(14-20)29-26(32)17-36-27-22(16-28)21(15-25(31)30-27)18-10-11-23(34-5-2)24(13-18)33-3/h7-11,13-14,21H,4-6,12,15,17H2,1-3H3,(H,29,32)(H,30,31) |
InChIKey |
PCGRLJLGPHSWEW-UHFFFAOYSA-N |
Molecular Weight |
509.621 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_7741 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10231955; Lab Info: KR; Lab Number: KR-KC03599 |
Temperature |
23.85 °C |