| SpectraBase Compound ID | GbpVYOJNgLa |
|---|---|
| InChI | InChI=1S/C26H45NO5S.Na/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3;/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32);/q;+1/p-1/t17-,18-,19-,20+,21-,22+,23+,25+,26-;/m1./s1 |
| InChIKey | YAERYJYXPRIDTO-HRHHVWJRSA-M |
| Mol Weight | 505.68976928 g/mol |
| Molecular Formula | C26H44NNaO5S |
| Exact Mass | 505.283789 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 6HBm1GJU8vh |
|---|---|
| Name | Taurolithocholic acid sodium salt |
| Source of Sample | Calbiochem, EMD Chemicals, Inc., an Affiliate of Merck KGaA, Darmstadt, Germany |
| Catalog Number | 580352 |
| Lot Number | 610055 |
| Accessory | DurasamplIR II |
| CAS Registry Number | 6042-32-6 |
| Compound Type | Pure |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H44NNaO5S |
| InChI | InChI=1S/C26H45NO5S.Na/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3;/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32);/q;+1/p-1/t17-,18-,19-,20+,21-,22+,23+,25+,26-;/m1./s1 |
| InChIKey | YAERYJYXPRIDTO-HRHHVWJRSA-M |
| Instrument Name | Bio-Rad FTS |
| Source of Spectrum | Forensic Spectral Research |
| Technique | ATR-Neat (DuraSamplIR II) |