SpectraBase Spectrum ID |
BpHeVZsGdA6 |
Name |
Anthracene, 9-bromo-10-cyclopropyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
296.020063419 u |
Formula |
C17H13Br |
InChI |
InChI=1S/C17H13Br/c18-17-14-7-3-1-5-12(14)16(11-9-10-11)13-6-2-4-8-15(13)17/h1-8,11H,9-10H2 |
InChIKey |
JYMAGMBIJQKAFE-UHFFFAOYSA-N |
Molecular Weight |
297.195 g/mol |
SMILES |
C=1(C=2C(=CC=CC2)C(=C2C1C=CC=C2)Br)C1CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8998 |