| SpectraBase Spectrum ID |
3a634ZgmmAk |
| Name |
4-({[3-cyano-5-(3-ethoxy-3-oxopropyl)-4,6-dimethyl-2-pyridinyl]sulfanyl}methyl)benzoic acid |
| Author |
A.V.Yarkov, IPAC, Russia |
| Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI |
InChI=1S/C21H22N2O4S/c1-4-27-19(24)10-9-17-13(2)18(11-22)20(23-14(17)3)28-12-15-5-7-16(8-6-15)21(25)26/h5-8H,4,9-10,12H2,1-3H3,(H,25,26) |
| InChIKey |
OJOOEMUFFVCHAC-UHFFFAOYSA-N |
| NMR Offset |
15.3537 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_36227_9749 |
| Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
| Sample State |
soluted |
| Solvent |
DMSO-d6 |
| Source File Reference |
VendorID: D60471; Labnumber: SHES3-0134; SBI_ID: SBI-009752 |
| Temperature |
308 °C |
![4-({[3-cyano-5-(3-ethoxy-3-oxopropyl)-4,6-dimethyl-2-pyridinyl]sulfanyl}methyl)benzoic acid](/api/spectrum/3a634ZgmmAk/structure.png?h=300&w=458 "4-({[3-cyano-5-(3-ethoxy-3-oxopropyl)-4,6-dimethyl-2-pyridinyl]sulfanyl}methyl)benzoic acid")
