SpectraBase Spectrum ID |
EmvIVgKjgfu |
Name |
1-Bromo-3-[4-(4-bromophenyl)phenyl]adamantane |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C22H22Br2 |
InChI |
InChI=1S/C22H22Br2/c23-20-7-3-18(4-8-20)17-1-5-19(6-2-17)21-10-15-9-16(11-21)13-22(24,12-15)14-21/h1-8,15-16H,9-14H2/t15-,16+,21+,22- |
InChIKey |
TZAWSZKIXCNRET-WGKKAQPQSA-N |
Molecular Weight |
446.226 g/mol |
SMILES |
[C@]12(C[C@]3(Br)C[C@](C2)(C[C@](C1)(C3)[H])[H])c1ccc(cc1)-c1ccc(cc1)Br |
SPLASH |
splash10-0002-0000900000-890a693214894a6bc7d6 |
Source of Spectrum |
SO-0-150-9 |
Wiley ID |
875314 |