| SpectraBase Compound ID | Js70vMYa7YV |
|---|---|
| InChI | InChI=1S/C23H31N3O.C6H8O7/c1-4-17-27-20-13-11-19(12-14-20)18-23-24-21-9-7-8-10-22(21)26(23)16-15-25(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-14H,4-6,15-18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | WVMAKRNNNMYRNT-UHFFFAOYSA-N |
| Mol Weight | 557.64 g/mol |
| Molecular Formula | C29H39N3O8 |
| Exact Mass | 557.273715 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | KjkdTPI6s2o |
|---|---|
| Name | Porotodesnitazene citrate |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 36917 |
| Lot Number | 0464625-11 |
| Accessory | DurasamplIR II |
| Apodization Function | Norton-Beer, medium |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H39N3O8 |
| InChI | InChI=1S/C23H31N3O.C6H8O7/c1-4-17-27-20-13-11-19(12-14-20)18-23-24-21-9-7-8-10-22(21)26(23)16-15-25(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-14H,4-6,15-18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | WVMAKRNNNMYRNT-UHFFFAOYSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | c1ccc2c(c1)[n](c(n2)Cc1ccc(cc1)OCCC)CCN(CC)CC.OC(CC(O)=O)(CC(O)=O)C(O)=O |
| Source of Spectrum | Forensic Spectral Research |
| Technique | ATR-Neat |