| SpectraBase Spectrum ID |
8eCgrk5xfrF |
| Name |
2(1H)-isoquinolinecarboxylic acid, 6-amino-5,7,7-tricyano-3,7,8,8a-tetrahydro-8-(2-thienyl)-, ethyl ester, (8R,8aR)- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.110295979 u |
| Formula |
C19H17N5O2S |
| InChI |
InChI=1S/C19H17N5O2S/c1-2-26-18(25)24-6-5-12-13(8-20)17(23)19(10-21,11-22)16(14(12)9-24)15-4-3-7-27-15/h3-5,7,14,16H,2,6,9,23H2,1H3 |
| InChIKey |
ZKKJIQYWHTXKBL-UHFFFAOYSA-N |
| Molecular Weight |
379.438 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_2264 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8163424; Lab Info: TSH; Lab Number: TSH-f000862 |
| Temperature |
29.85 °C |
