SpectraBase Spectrum ID |
JeYyK3md3yF |
Name |
Anthracene, 9-(4-bromobutyl)-9,10-dihydro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
314.067013612 u |
Formula |
C18H19Br |
InChI |
InChI=1S/C18H19Br/c19-12-6-5-11-18-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)18/h1-4,7-10,18H,5-6,11-13H2 |
InChIKey |
JDWLRPADMHERLM-UHFFFAOYSA-N |
SMILES |
C1=C2CC3=CC=CC=C3C(C2=CC=C1)CCCCBr |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801813 |