| SpectraBase Spectrum ID |
68x89pIwKfj |
| Name |
3-(4-Neopentylpiperazin-1-yl)benzo[d]isothiazole |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.161268927 u |
| Formula |
C16H23N3S |
| InChI |
InChI=1S/C16H23N3S/c1-16(2,3)12-18-8-10-19(11-9-18)15-13-6-4-5-7-14(13)20-17-15/h4-7H,8-12H2,1-3H3 |
| InChIKey |
KZPNDJIURRFWQS-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202304445 |
| Molecular Weight |
289.441 g/mol |
| Quality |
151 |
| Reported Formula |
C16H23N3S |
| SMILES |
C1CN(CCN1CC(C)(C)C)C1=NSC2=C1C=CC=C2 |
| SPLASH |
splash10-001i-1190000000-c53732ffba246841b56a |
| Source of Spectrum |
ACI-62-SM40-1q (DOI: 10.1002/anie.202304445) |
| Wiley ID |
1911132 |
![3-(4-Neopentylpiperazin-1-yl)benzo[d]isothiazole](/api/spectrum/68x89pIwKfj/structure.png?h=300&w=458 "3-(4-Neopentylpiperazin-1-yl)benzo[d]isothiazole")
