| SpectraBase Spectrum ID |
CdYqiijVrJd |
| Name |
Ipsapirone |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
39918 |
| Lot Number |
0696018-1 |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
95847-70-4 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.152160792 u |
| Formula |
C19H23N5O3S |
| InChI |
InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2 |
| InChIKey |
TZJUVVIWVWFLCD-UHFFFAOYSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
401.485 g/mol |
| Purity |
≥98% |
| Resolution |
4 |
| SMILES |
C1(N(S(C=2C=CC=CC12)(=O)=O)CCCCN1CCN(CC1)C=1N=CC=CN1)=O |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,2-benzisothiazol-3(2H)-one, 1,1-dioxide |
| Technique |
ATR-Neat |
