| SpectraBase Spectrum ID |
FYb5BSA8vqO |
| Name |
acetic acid, [[1-cyano-4-imino-5-(4-phenyl-2-thiazolyl)-3-azaspiro[5.5]undec-1-en-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 |
452.134068375 u |
| Formula |
C23H24N4O2S2 |
| InChI |
InChI=1S/C23H24N4O2S2/c1-29-18(28)14-31-21-16(12-24)23(10-6-3-7-11-23)19(20(25)27-21)22-26-17(13-30-22)15-8-4-2-5-9-15/h2,4-5,8-9,13,19H,3,6-7,10-11,14H2,1H3,(H2,25,27) |
| InChIKey |
UCXXGNUFACMINY-UHFFFAOYSA-N |
| Molecular Weight |
452.591 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11514 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10261582; Lab Info: DVD; Lab Number: DVD-0000017 |
![Methyl {[1-cyano-4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl}acetate](/api/spectrum/FYb5BSA8vqO/structure.png?h=300&w=458 "Methyl {[1-cyano-4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl}acetate")
