| SpectraBase Spectrum ID |
JBqeIr7L6dV |
| Name |
3-cyclohexene-1-carboxylic acid, 6-[[(2,4-dimethoxy-5-pyrimidinyl)amino]carbonyl]-, 2,3,3-trichloro-2-propenyl 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 |
449.031203787 u |
| Formula |
C17H18Cl3N3O5 |
| InChI |
InChI=1S/C17H18Cl3N3O5/c1-26-15-12(7-21-17(23-15)27-2)22-14(24)9-5-3-4-6-10(9)16(25)28-8-11(18)13(19)20/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,22,24) |
| InChIKey |
CFGKQALGGWPGAV-UHFFFAOYSA-N |
| Molecular Weight |
450.706 g/mol |
| NMR Offset |
16.579 |
| NMR Spectrometer Frequency |
250.133 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1038 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8010079; Lab Info: S; Lab Number: S-0000272 |
| Temperature |
23.85 °C |
![3-cyclohexene-1-carboxylic acid, 6-[[(2,4-dimethoxy-5-pyrimidinyl)amino]carbonyl]-, 2,3,3-trichloro-2-propenyl ester](/api/spectrum/JBqeIr7L6dV/structure.png?h=300&w=458 "3-cyclohexene-1-carboxylic acid, 6-[[(2,4-dimethoxy-5-pyrimidinyl)amino]carbonyl]-, 2,3,3-trichloro-2-propenyl ester")
