Bio-Rad Laboratories, Inc. SpectraBase; SpectraBase Compound ID=eMwGkZIEY8 SpectraBase Spectrum ID=369IZiRX9Wv
http://spectrabase.com/spectrum/369IZiRX9Wv (accessed Nov 20, 2019).

Sodium taurocholate hydrate
SpectraBase Compound ID eMwGkZIEY8
InChI InChI=1S/C26H45NO7S.Na.H2O/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);;1H2/q;+1;/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;;/m1../s1
InChIKey RDAJAQDLEFHVNR-NEMAEHQESA-M
Mol Weight 555.70276928 g/mol
Molecular Formula C26H46NNaO8S
Exact Mass 555.284184 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 369IZiRX9Wv
SpectraBase Batch ID 5IKnTJ3jOQq
Name Sodium taurocholate hydrate
Source of Sample Alfa Aesar, A Johnson Matthey Company
Catalog Number A18346
Lot Number U12A008
CAS Registry Number 345909-26-4
Copyright Copyright © 2015-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Formula C26H46NNaO8S
Hazards Warning
InChI InChI=1S/C26H45NO7S.Na.H2O/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);;1H2/q;+1;/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;;/m1../s1
InChIKey RDAJAQDLEFHVNR-NEMAEHQESA-M
Instrument Name Bruker Tensor 27 FT-IR
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Physical State Solid
Purity 97%
Sample Type Organic
Source of Spectrum Bio-Rad Laboratories, Inc.
Synonyms Taurocholic acid sodium salt hydrate
Technique ATR-Neat (DuraSamplIR II)