| SpectraBase Compound ID | GMUlRZavayg |
|---|---|
| InChI | InChI=1S/C21H28FNO3/c1-15-6-5-7-17(10-15)14-23-16(2)11-18-12-19(24-3)21(26-9-8-22)20(13-18)25-4/h5-7,10,12-13,16,23H,8-9,11,14H2,1-4H3 |
| InChIKey | IAXHQLZPWYOEDT-UHFFFAOYSA-N |
| Mol Weight | 361.46 g/mol |
| Molecular Formula | C21H28FNO3 |
| Exact Mass | 361.205322 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2j5K68I2UYY |
|---|---|
| Name | 3C-fe m-Tolyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.205321926 u |
| Formula | C21H28FNO3 |
| InChI | InChI=1S/C21H28FNO3/c1-15-6-5-7-17(10-15)14-23-16(2)11-18-12-19(24-3)21(26-9-8-22)20(13-18)25-4/h5-7,10,12-13,16,23H,8-9,11,14H2,1-4H3 |
| InChIKey | IAXHQLZPWYOEDT-UHFFFAOYSA-N |
| Molecular Weight | 361.457 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CC(NCC=1C=C(C=CC1)C)C)OC)OCCF |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893769 |