| SpectraBase Spectrum ID |
CzOqbh1Etmn |
| Name |
acetic acid, [[3-cyano-4-(3-cyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]thio]-, 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 |
328.124549064 u |
| Formula |
C18H20N2O2S |
| InChI |
InChI=1S/C18H20N2O2S/c1-22-16(21)11-23-18-14(10-19)17(12-6-3-2-4-7-12)13-8-5-9-15(13)20-18/h2-3,12H,4-9,11H2,1H3 |
| InChIKey |
KEFNCPLKMPVCML-UHFFFAOYSA-N |
| Molecular Weight |
328.430 g/mol |
| NMR Offset |
16.0106 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8114 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9301774; Lab Info: DVD; Lab Number: DVD-0000094 |
![acetic acid, [[3-cyano-4-(3-cyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]thio]-, methyl ester](/api/spectrum/CzOqbh1Etmn/structure.png?h=300&w=458 "acetic acid, [[3-cyano-4-(3-cyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]thio]-, methyl ester")
