| SpectraBase Spectrum ID |
3Z8QZL7xX4K |
| Name |
benzoic acid, 4-[[(3,4,5,6,7,8-hexahydro-4-oxobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-, methyl 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 |
386.075884793 u |
| Formula |
C19H18N2O3S2 |
| InChI |
InChI=1S/C19H18N2O3S2/c1-24-18(23)12-8-6-11(7-9-12)10-25-19-20-16(22)15-13-4-2-3-5-14(13)26-17(15)21-19/h6-9H,2-5,10H2,1H3,(H,20,21,22) |
| InChIKey |
HWLNFNXCKVAQGO-UHFFFAOYSA-N |
| Molecular Weight |
386.484 g/mol |
| NMR Offset |
16.2999 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_2968 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9248491; Lab Info: *0917558*; Lab Number: *0917558* |
| Temperature |
29.85 °C |
![benzoic acid, 4-[[(3,4,5,6,7,8-hexahydro-4-oxobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-, methyl ester](/api/spectrum/3Z8QZL7xX4K/structure.png?h=300&w=458 "benzoic acid, 4-[[(3,4,5,6,7,8-hexahydro-4-oxobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-, methyl ester")
