| SpectraBase Spectrum ID |
Embpw7gAxIO |
| Name |
Ethyl ester of (S)-2-[2-(4-bromophenyl)-5-methyl-1H-pyrrol-1-yl]propionic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.052091822 u |
| Formula |
C16H18BrNO2 |
| InChI |
InChI=1S/C16H18BrNO2/c1-4-20-16(19)12(3)18-11(2)5-10-15(18)13-6-8-14(17)9-7-13/h5-10,12H,4H2,1-3H3/t12-/m0/s1 |
| InChIKey |
BSRWIQUCMFFHHN-LBPRGKRZSA-N |
| Molecular Weight |
336.229 g/mol |
| SMILES |
C=1(N(C(=CC1)C)[C@](C(=O)OCC)(C)[H])C=1C=CC(=CC1)Br |
![Ethyl ester of (S)-2-[2-(4-bromophenyl)-5-methyl-1H-pyrrol-1-yl]propionic acid](/api/spectrum/Embpw7gAxIO/structure.png?h=300&w=458 "Ethyl ester of (S)-2-[2-(4-bromophenyl)-5-methyl-1H-pyrrol-1-yl]propionic acid")
