| SpectraBase Compound ID | 8nbkIMpsGks |
|---|---|
| InChI | InChI=1S/C22H28FNO4/c1-15-7-5-8-18(11-15)22(25)24-16(2)12-17-13-19(26-3)21(20(14-17)27-4)28-10-6-9-23/h5,7-8,11,13-14,16H,6,9-10,12H2,1-4H3,(H,24,25) |
| InChIKey | UPFFECAYXDYQCT-UHFFFAOYSA-N |
| Mol Weight | 389.47 g/mol |
| Molecular Formula | C22H28FNO4 |
| Exact Mass | 389.200237 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2QLnfRRh8G |
|---|---|
| Name | 3C-fp m-Toluoyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 389.200236545 u |
| Formula | C22H28FNO4 |
| InChI | InChI=1S/C22H28FNO4/c1-15-7-5-8-18(11-15)22(25)24-16(2)12-17-13-19(26-3)21(20(14-17)27-4)28-10-6-9-23/h5,7-8,11,13-14,16H,6,9-10,12H2,1-4H3,(H,24,25) |
| InChIKey | UPFFECAYXDYQCT-UHFFFAOYSA-N |
| Molecular Weight | 389.467 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CC(NC(C=1C=C(C=CC1)C)=O)C)OC)OCCCF |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.829039 |