| SpectraBase Spectrum ID |
9j7pkcLJ3As |
| Name |
4-isothiazolecarbonitrile, 3,5-bis[[(3-methoxyphenyl)methyl]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 |
414.053041348 u |
| Formula |
C20H18N2O2S3 |
| InChI |
InChI=1S/C20H18N2O2S3/c1-23-16-7-3-5-14(9-16)12-25-19-18(11-21)20(27-22-19)26-13-15-6-4-8-17(10-15)24-2/h3-10H,12-13H2,1-2H3 |
| InChIKey |
HOIIBXVGFKLYHE-UHFFFAOYSA-N |
| Molecular Weight |
414.556 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_2248 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8160352; Lab Info: TSH; Lab Number: TSH-f000566 |
| Temperature |
29.85 °C |
![4-isothiazolecarbonitrile, 3,5-bis[[(3-methoxyphenyl)methyl]thio]-](/api/spectrum/9j7pkcLJ3As/structure.png?h=300&w=458 "4-isothiazolecarbonitrile, 3,5-bis[[(3-methoxyphenyl)methyl]thio]-")
