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VU0155041 sodium salt

View entire compound with spectra: 2 FTIR, and 1 Raman

VU0155041 sodium salt
SpectraBase Compound ID 21wpH9KiiJQ
InChI InChI=1S/C14H15Cl2NO3.Na/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20;/h5-7,11-12H,1-4H2,(H,17,18)(H,19,20);/q;+1/p-1/t11-,12+;/m1./s1
InChIKey ZFDOLOCYGVTGDQ-LYCTWNKOSA-M
Mol Weight 338.17 g/mol
Molecular Formula C14H14Cl2NNaO3
Exact Mass 337.024843 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 1Z7Hku9Dl3x
Name VU0155041 sodium salt
Source of Sample Cayman Chemical Company
Catalog Number 21775
Lot Number 0509856-1
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 1259372-69-4
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14Cl2NNaO3
IUPAC Name (1R,2S)-rel-2-[[(3,5-Dichlorophenyl)amino]carbonyl]cyclohexanecarboxylic acid, monosodium salt
InChI InChI=1S/C14H15Cl2NO3.Na/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20;/h5-7,11-12H,1-4H2,(H,17,18)(H,19,20);/q;+1/p-1/t11-,12+;/m1./s1
InChIKey ZFDOLOCYGVTGDQ-LYCTWNKOSA-M
Instrument Name Bio-Rad FTS
SMILES N(c1cc(cc(c1)Cl)Cl)C(=O)[C@]1([C@](CCCC1)(C([O-])=O)[H])[H].[Na+]
Source of Spectrum Forensic Spectral Research
Technique ATR-Neat