| SpectraBase Spectrum ID |
LAiU0S0jHBK |
| Name |
Lixivaptan |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
21511 |
| Lot Number |
0501440-3 |
| Accessory |
DurasamplIR II |
| Apodization Function |
Triangular |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H21ClFN3O2 |
| IUPAC Name |
N-[3-Chloro-4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]-5-fluoro-2-methyl-benzamide |
| InChI |
InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33) |
| InChIKey |
PPHTXRNHTVLQED-UHFFFAOYSA-N |
| Instrument Name |
Bio-Rad FTS
|
| SMILES |
N(C(c1cc(ccc1C)F)=O)c1cc(c(cc1)C(N1c2c(C[n]3c(C1)ccc3)cccc2)=O)Cl |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
VPA-985; WAY-VPA-985 |
| Technique |
ATR-Neat |
