| SpectraBase Spectrum ID |
4Xd26eAorrz |
| Name |
Chlorphencyclan |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.185942225 u |
| Formula |
C18H28ClNO |
| InChI |
InChI=1S/C18H28ClNO/c1-3-20(4-2)14-15-21-18(12-6-5-7-13-18)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15H2,1-2H3 |
| InChIKey |
FFCARBNHUSWRGK-UHFFFAOYSA-N |
| Molecular Weight |
309.881 g/mol |
| SMILES |
C1(C=2C=CC(=CC2)Cl)(OCCN(CC)CC)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939703 |
