| SpectraBase Compound ID | EFqhLt9FzT5 |
|---|---|
| InChI | InChI=1S/C20H27ClN2O3/c1-14(2)18(20(25)26-3)22-19(24)16-13-23(12-8-4-7-11-21)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 | DHHDVWNICSVEQP-SFHVURJKSA-N |
| Mol Weight | 378.9 g/mol |
| Molecular Formula | C20H27ClN2O3 |
| Exact Mass | 378.17102 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | IQuz8D4khn1 |
|---|---|
| Name | 5-Chloro AMB-PICA |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 29751 |
| Lot Number | 0585414-7 |
| Accessory | DurasamplIR II |
| Apodization Function | Norton-Beer, medium |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H27ClN2O3 |
| IUPAC Name | Methyl (1-(5-chloropentyl)-1H-indole-3-carbonyl)-L-valinate |
| InChI | InChI=1S/C20H27ClN2O3/c1-14(2)18(20(25)26-3)22-19(24)16-13-23(12-8-4-7-11-21)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 | DHHDVWNICSVEQP-SFHVURJKSA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 378.900 g/mol |
| Purity | >=98% |
| SMILES | N(C(c1c2c(cccc2)[n](c1)CCCCCCl)=O)[C@](C(OC)=O)(C(C)C)[H] |
| Scan Speed (number) | 5 |
| Source of Spectrum | Forensic Spectral Research |
| Technique | ATR-Neat |
| UV - Neutral Conditions | UVmax (nm): 218, 290 |