| SpectraBase Spectrum ID |
BK1oAdxuG8 |
| Name |
6'-(Propylamino)-3'-methyl-spiro[benzothiazoline-2,5'-pyrimidine-2,4'-(3'H,5'H)-dione] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.099396943 u |
| Formula |
C18H16N4O2S |
| InChI |
InChI=1S/C18H16N4O2S/c1-22-16(23)18(21-13-9-5-6-10-14(13)25-18)15(20-17(22)24)19-11-12-7-3-2-4-8-12/h2-10,21H,11H2,1H3,(H,19,20,24) |
| InChIKey |
IMWXYAPCBMLWIG-UHFFFAOYSA-N |
| Molecular Weight |
352.412 g/mol |
| SMILES |
C12(C(N(C(=O)N=C2NCC2=CC=CC=C2)C)=O)NC=2C=CC=CC2S1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859271 |
![6'-(Propylamino)-3'-methyl-spiro[benzothiazoline-2,5'-pyrimidine-2,4'-(3'H,5'H)-dione]](/api/spectrum/BK1oAdxuG8/structure.png?h=300&w=458 "6'-(Propylamino)-3'-methyl-spiro[benzothiazoline-2,5'-pyrimidine-2,4'-(3'H,5'H)-dione]")
