| SpectraBase Spectrum ID |
H2HowIUnTI3 |
| Name |
1-(4-Chloro-butoxy)-3-chloromethyl-adamantane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.120420792 u |
| Formula |
C15H24Cl2O |
| InChI |
InChI=1S/C15H24Cl2O/c16-3-1-2-4-18-15-8-12-5-13(9-15)7-14(6-12,10-15)11-17/h12-13H,1-11H2/t12-,13+,14+,15- |
| InChIKey |
HAPITVTVGPVQBD-PYHGIMPFSA-N |
| SMILES |
C1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)CCl)[H])OCCCCCl)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949073 |
