| SpectraBase Spectrum ID |
BfrOtsryFD2 |
| Name |
2,4-thiophenedicarboxylic acid, 5-[[(2-bromo-4-chlorophenoxy)acetyl]amino]-3-methyl-, diethyl ester |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
502.980499204 u |
| Formula |
C19H19BrClNO6S |
| InChI |
InChI=1S/C19H19BrClNO6S/c1-4-26-18(24)15-10(3)16(19(25)27-5-2)29-17(15)22-14(23)9-28-13-7-6-11(21)8-12(13)20/h6-8H,4-5,9H2,1-3H3,(H,22,23) |
| InChIKey |
HPERMQZHAJUHPT-UHFFFAOYSA-N |
| Molecular Weight |
504.779 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_13986 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10023939; Lab Info: PNA; Lab Number: PNA-1991562 |