| SpectraBase Spectrum ID |
JkKispVoK4R |
| Name |
4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl 2,4,6-trimethylbenzoate |
| Appearance |
White crystalline solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.151098165 u |
| Formula |
C21H23N3O2S |
| InChI |
InChI=1S/C21H23N3O2S/c1-14-12-15(2)19(16(3)13-14)21(25)26-24-10-8-23(9-11-24)20-17-6-4-5-7-18(17)27-22-20/h4-7,12-13H,8-11H2,1-3H3 |
| InChIKey |
CRIXTMBJYVUKEH-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202304445 |
| Molecular Weight |
381.494 g/mol |
| Quality |
116 |
| Reported Formula |
C21H23O2N3S |
| SMILES |
C1=CC2=C(C=C1)SN=C2N1CCN(CC1)OC(C1=C(C=C(C=C1C)C)C)=O |
| SPLASH |
splash10-0002-0900000000-5d199b0b186052897e01 |
| Source of Spectrum |
ACI-62-SM16-2i (DOI: 10.1002/anie.202304445) |
| Wiley ID |
1911143 |
![4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl 2,4,6-trimethylbenzoate](/api/spectrum/JkKispVoK4R/structure.png?h=300&w=458 "4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl 2,4,6-trimethylbenzoate")
