| SpectraBase Spectrum ID |
FmMRsheSPul |
| Name |
5-(2-bromo-acetyl)-4-methyl-2-phenylaminothiophene-3-carboxylic acid ethyl ester |
| Appearance |
Pale yellow powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16BrNO3S |
| InChI |
InChI=1S/C16H16BrNO3S/c1-3-21-16(20)13-10(2)14(12(19)9-17)22-15(13)18-11-7-5-4-6-8-11/h4-8,18H,3,9H2,1-2H3 |
| InChIKey |
KCIMHVZYVWWGNK-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP-1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.3688 |
| Molecular Weight |
382.272 g/mol |
| SMILES |
N(c1c(c(c(s1)C(CBr)=O)C)C(OCC)=O)c1ccccc1 |
| SPLASH |
splash10-00xr-9850000000-3b7abd04d10aadce5aa5 |
| Source of Spectrum |
Y-56-SM4-2 |
| Wiley ID |
1861100 |
