| SpectraBase Compound ID | F0HxxCecdcd |
|---|---|
| InChI | InChI=1S/C22H30FNO3/c1-16-7-5-8-18(11-16)15-24-17(2)12-19-13-20(25-3)22(21(14-19)26-4)27-10-6-9-23/h5,7-8,11,13-14,17,24H,6,9-10,12,15H2,1-4H3 |
| InChIKey | QGKWVMWKWFRIEM-UHFFFAOYSA-N |
| Mol Weight | 375.48 g/mol |
| Molecular Formula | C22H30FNO3 |
| Exact Mass | 375.220972 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CPoqM2oRdgZ |
|---|---|
| Name | 3C-fp N-3-Methylbenzyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.220971990 u |
| Formula | C22H30FNO3 |
| InChI | InChI=1S/C22H30FNO3/c1-16-7-5-8-18(11-16)15-24-17(2)12-19-13-20(25-3)22(21(14-19)26-4)27-10-6-9-23/h5,7-8,11,13-14,17,24H,6,9-10,12,15H2,1-4H3 |
| InChIKey | QGKWVMWKWFRIEM-UHFFFAOYSA-N |
| Molecular Weight | 375.484 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CC(NCC=1C=C(C=CC1)C)C)OC)OCCCF |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.859188 |