SpectraBase Spectrum ID |
D3CmrD67GuZ |
Name |
2H-Pyrrole, 4-bromo-5-(5-chloro-2-methoxyphenyl)-3,4-dihydro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
286.971254677 u |
Formula |
C11H11BrClNO |
InChI |
InChI=1S/C11H11BrClNO/c1-15-10-3-2-7(13)6-8(10)11-9(12)4-5-14-11/h2-3,6,9H,4-5H2,1H3 |
InChIKey |
KAHWEVCYTDWXSE-UHFFFAOYSA-N |
SMILES |
C=1(C2=NCCC2Br)C(=CC=C(C1)Cl)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875284 |