| SpectraBase Compound ID | BAbN4geKUIn |
|---|---|
| InChI | InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2 |
| InChIKey | SGHZXLIDFTYFHQ-UHFFFAOYSA-L |
| Mol Weight | 792.84353856 g/mol |
| Molecular Formula | C37H34N2Na2O9S3 |
| Exact Mass | 792.122183 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | Izbr8XgnTOL |
|---|---|
| Name | Erioglaucine |
| Source of Sample | Sigma-Aldrich Company LLC |
| Catalog Number | 861146 |
| Lot Number | 06202ED |
| Accessory | DurasamplIR II |
| Apodization Function | Norton-Beer, medium |
| CAS Registry Number | 3844-45-9 |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H34N2Na2O9S3 |
| InChI | InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2 |
| InChIKey | SGHZXLIDFTYFHQ-UHFFFAOYSA-L |
| Instrument Name | Bio-Rad FTS |
| Purity | |
| SMILES | c1(\C(=C\2\C=C/C(\C=C/2)=[N+]\(Cc2cc(ccc2)S(=O)(=O)[O-])CC)c2c(cccc2)S(=O)(=O)[O-])ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+] |
| Scan Speed (number) | 5 |
| Source of Spectrum | Forensic Spectral Research |
| Technique | ATR-Neat |