SpectraBase Compound ID | FyuchJFB97N |
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InChI | InChI=1S/C21H29ClN2O3/c1-21(2,3)18(20(26)27-4)23-19(25)16-14-24(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,23,25)/t18-/m1/s1 |
InChIKey | RDYYVCJZBGFEEK-GOSISDBHSA-N |
Mol Weight | 392.93 g/mol |
Molecular Formula | C21H29ClN2O3 |
Exact Mass | 392.18667 g/mol |
SpectraBase Spectrum ID | GzDRN6UG4ty |
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Name | 5-Chloro MDMB-PICA |
Source of Sample | Cayman Chemical Company |
Catalog Number | 23438 |
Lot Number | 0587173-6 |
Accessory | DurasamplIR II |
Apodization Function | Norton-Beer, medium |
Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C21H29ClN2O3 |
IUPAC Name | Methyl (S)-2-(1-(5-chloropentyl)-1H-indole-3-carboxamido)-3,3-dimethylbutanoate |
InChI | InChI=1S/C21H29ClN2O3/c1-21(2,3)18(20(26)27-4)23-19(25)16-14-24(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,23,25)/t18-/m1/s1 |
InChIKey | RDYYVCJZBGFEEK-GOSISDBHSA-N |
Instrument Name | Bio-Rad FTS |
Purity | >=98% |
SMILES | N(C(c1c2ccccc2[n](c1)CCCCCCl)=O)[C@@](C(C)(C)C)(C(OC)=O)[H] |
Scan Speed (number) | 5 |
Source of Spectrum | Forensic Spectral Research |
Technique | ATR-Neat |
UV - Neutral Conditions | UVmax (nm): 218, 246 |