| SpectraBase Spectrum ID |
E1ePRps3B04 |
| Name |
3-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
449.081219625 u |
| Formula |
C20H20ClN3O5S |
| InChI |
InChI=1S/C20H20ClN3O5S/c1-18(2)9-20(15(26)28-18)10-19(3,29-16(20)27)13(25)8-30-17-22-14(23-24-17)11-6-4-5-7-12(11)21/h4-7H,8-10H2,1-3H3,(H,22,23,24) |
| InChIKey |
XEOOHATVIZIQPX-UHFFFAOYSA-N |
| Molecular Weight |
449.909 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_1951 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12278693 |
![3-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione](/api/spectrum/E1ePRps3B04/structure.png?h=300&w=458 "3-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione")
