| SpectraBase Spectrum ID |
FITVbppZNBb |
| Name |
SBI-115 |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
39168 |
| Lot Number |
0694162-3 |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
882366-16-7 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.028455777 u |
| Formula |
C14H13ClN2O4S |
| InChI |
InChI=1S/C14H13ClN2O4S/c1-3-22(19,20)14-16-8-11(15)12(17-14)13(18)21-10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3 |
| InChIKey |
IJPXOPBVXVPPEW-UHFFFAOYSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
340.781 g/mol |
| Purity |
≥98% |
| Resolution |
4 |
| SMILES |
C=1(N=C(C(=CN1)Cl)C(=O)OC=1C=C(C=CC1)C)S(=O)(=O)CC |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
5-chloro-2-(ethylsulfonyl)-4-pyrimidinecarboxylic acid 3-methylphenyl ester |
| Technique |
ATR-Neat |
