| SpectraBase Compound ID | 1FL2eVkCTpT |
|---|---|
| InChI | InChI=1S/C21H27ClFNO3/c1-15(24-14-17-7-4-5-8-18(17)22)11-16-12-19(25-2)21(20(13-16)26-3)27-10-6-9-23/h4-5,7-8,12-13,15,24H,6,9-11,14H2,1-3H3 |
| InChIKey | LYXXIUHOVZHTHP-UHFFFAOYSA-N |
| Mol Weight | 395.9 g/mol |
| Molecular Formula | C21H27ClFNO3 |
| Exact Mass | 395.16635 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BnhSS1bhw4Z |
|---|---|
| Name | 3C-fp N-(2-Chlorobenzyl) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 395.166349593 u |
| Formula | C21H27ClFNO3 |
| InChI | InChI=1S/C21H27ClFNO3/c1-15(24-14-17-7-4-5-8-18(17)22)11-16-12-19(25-2)21(20(13-16)26-3)27-10-6-9-23/h4-5,7-8,12-13,15,24H,6,9-11,14H2,1-3H3 |
| InChIKey | LYXXIUHOVZHTHP-UHFFFAOYSA-N |
| Molecular Weight | 395.902 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CC(NCC=1C(=CC=CC1)Cl)C)OC)OCCCF |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.813886 |