| SpectraBase Spectrum ID |
3WQ72Lu7P19 |
| Name |
FT113 |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
37545 |
| Lot Number |
0687104-1 |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
1630808-89-7 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.143784295 u |
| Formula |
C22H20FN3O4 |
| InChI |
InChI=1S/C22H20FN3O4/c23-16-5-6-17-18(13-16)30-19(24-17)14-1-3-15(4-2-14)20(27)25-9-11-26(12-10-25)21(28)22(29)7-8-22/h1-6,13,29H,7-12H2 |
| InChIKey |
DSTWHRGOCUOKDE-UHFFFAOYSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
409.417 g/mol |
| Purity |
≥98% |
| Resolution |
4 |
| SMILES |
C(=O)(C1(CC1)O)N1CCN(CC1)C(C=1C=CC(=CC1)C=1OC=2C(N1)=CC=C(C2)F)=O |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
[4-[4-(6-fluoro-2-benzoxazolyl)benzoyl]-1-piperazinyl](1-hydroxycyclopropyl)-methanone |
| Technique |
ATR-Neat |
