| SpectraBase Compound ID | 32I3LEURrch |
|---|---|
| InChI | InChI=1S/C18H26N2O2.C4H4O4/c1-5-10-20(13(2)3)11-9-15-12-19-16-7-6-8-17(18(15)16)22-14(4)21;5-3(6)1-2-4(7)8/h6-8,12-13,19H,5,9-11H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| InChIKey | ZIOAARGPHZHMNK-WLHGVMLRSA-N |
| Mol Weight | 418.49 g/mol |
| Molecular Formula | C22H30N2O6 |
| Exact Mass | 418.210387 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | AhdaRBFWDxP |
|---|---|
| Name | 4-Acetoxy PiPT fumarate |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 35736 |
| Lot Number | 0634109-5 |
| Accessory | DurasamplIR II |
| Apodization Function | Norton-Beer, medium |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30N2O6 |
| InChI | InChI=1S/C18H26N2O2.C4H4O4/c1-5-10-20(13(2)3)11-9-15-12-19-16-7-6-8-17(18(15)16)22-14(4)21;5-3(6)1-2-4(7)8/h6-8,12-13,19H,5,9-11H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| InChIKey | ZIOAARGPHZHMNK-WLHGVMLRSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | OC(\C=C\C(=O)O)=O.[nH]1cc(c2c(cccc12)OC(=O)C)CCN(CCC)C(C)C |
| Source of Spectrum | Forensic Spectral Research |
| Technique | ATR-Neat |