| SpectraBase Spectrum ID |
fP7rf3JwRq |
| Name |
Adamantane-1-carboxamide, N-(4-bromo-2-benzoylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.099042015 u |
| Formula |
C24H24BrNO2 |
| InChI |
InChI=1S/C24H24BrNO2/c25-19-6-7-21(20(11-19)22(27)18-4-2-1-3-5-18)26-23(28)24-12-15-8-16(13-24)10-17(9-15)14-24/h1-7,11,15-17H,8-10,12-14H2,(H,26,28)/t15-,16+,17-,24- |
| InChIKey |
YPDITFBEHBTNRC-ONHXBKDTSA-N |
| Molecular Weight |
438.365 g/mol |
| SMILES |
C12(C(NC3=C(C(=O)C4=CC=CC=C4)C=C(Br)C=C3)=O)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878535 |
