| SpectraBase Compound ID | EQdj4DtZv7M |
|---|---|
| InChI | InChI=1S/C21H28N2O3/c1-6-7-10-13-23-14-16(15-11-8-9-12-17(15)23)19(24)22-18(20(25)26-5)21(2,3)4/h6,8-9,11-12,14,18H,1,7,10,13H2,2-5H3,(H,22,24)/t18-/m1/s1 |
| InChIKey | DKAYJHYDQWJEBK-GOSISDBHSA-N |
| Mol Weight | 356.47 g/mol |
| Molecular Formula | C21H28N2O3 |
| Exact Mass | 356.209993 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | LEQ3zvB3KMB |
|---|---|
| Name | MDMB-4en-PICA |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 28541 |
| Lot Number | 0566852-14 |
| Accessory | DurasamplIR II |
| Apodization Function | Norton-Beer, medium |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28N2O3 |
| IUPAC Name | Methyl (S)-3,3-dimethyl-2-(1-(pent-4-en-1-yl)-1H-indole-3-carboxamido)butanoate |
| InChI | InChI=1S/C21H28N2O3/c1-6-7-10-13-23-14-16(15-11-8-9-12-17(15)23)19(24)22-18(20(25)26-5)21(2,3)4/h6,8-9,11-12,14,18H,1,7,10,13H2,2-5H3,(H,22,24)/t18-/m1/s1 |
| InChIKey | DKAYJHYDQWJEBK-GOSISDBHSA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 356.466 g/mol |
| Purity | >=98% |
| SMILES | N(C(c1c[n](c2c1cccc2)CCCC=C)=O)[C@](C(OC)=O)(C(C)(C)C)[H] |
| Scan Speed (number) | 5 |
| Solvent | Dichloromethane |
| Source of Spectrum | Forensic Spectral Research |
| Technique | ATR-Film |
| UV - Neutral Conditions | UVmax (nm): 220, 290 |