SpectraBase Spectrum ID |
6Ns7GdaAqd2 |
Name |
Tricyclo[3.3.1.13,7]decane, 2-chloro-1-iodo- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
295.982873151 u |
Formula |
C10H14ClI |
InChI |
InChI=1S/C10H14ClI/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9H,1-5H2/t6-,7?,8?,9?,10-/m1/s1 |
InChIKey |
BACDITFXGMKKJX-AGAVPBBISA-N |
Molecular Weight |
296.579 g/mol |
SMILES |
[C@]12(C(C3CC(C2)C[C@@](C1)(C3)[H])Cl)I |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934164 |