| SpectraBase Compound ID | 7YOLcJcH1ZK |
|---|---|
| InChI | InChI=1S/C20H27FN2O3/c1-4-26-20(25)18(14(2)3)22-19(24)16-13-23(12-8-7-11-21)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,18H,4,7-8,11-12H2,1-3H3,(H,22,24)/t18-/m0/s1 |
| InChIKey | YRVNWHXSMRQPFR-SFHVURJKSA-N |
| Mol Weight | 362.45 g/mol |
| Molecular Formula | C20H27FN2O3 |
| Exact Mass | 362.200571 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | IBCYW18tGdD |
|---|---|
| Name | 4-Fluoro EMB-BUTICA |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 31298 |
| Lot Number | 0597772-6 |
| Accessory | DurasamplIR II |
| Apodization Function | Norton-Beer, medium |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H27FN2O3 |
| IUPAC Name | Ethyl (1-(4-fluorobutyl)-1H-indole-3-carbonyl)-L-valinate |
| InChI | InChI=1S/C20H27FN2O3/c1-4-26-20(25)18(14(2)3)22-19(24)16-13-23(12-8-7-11-21)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,18H,4,7-8,11-12H2,1-3H3,(H,22,24)/t18-/m0/s1 |
| InChIKey | YRVNWHXSMRQPFR-SFHVURJKSA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 362.445 g/mol |
| Purity | >=98% |
| SMILES | N(C(c1c[n](c2c1cccc2)CCCCF)=O)[C@@](C(C)C)(C(OCC)=O)[H] |
| Scan Speed (number) | 5 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | 4-Fluoro EMB-BICA |
| Technique | ATR-Neat |
| UV - Neutral Conditions | UVmax (nm): 218, 289 |