| SpectraBase Spectrum ID |
H4QidfalItx |
| Name |
VU0155041 sodium salt |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
21775 |
| Lot Number |
0509856-1 |
| CAS Registry Number |
1259372-69-4 |
| Cell Type |
Capillary tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 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 |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
1200 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
N(C([C@]1([C@](CCCC1)(C(=O)[O-])[H])[H])=O)c1cc(cc(c1)Cl)Cl.[Na+] |
| Scans Performed |
2368 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
