| SpectraBase Spectrum ID |
KKylSG2pi5q |
| Name |
1-(3-Dimethylamino-4ah-[1,3,4]thiadiazino[6,5-B]indol-5-yl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.088832260 u |
| Formula |
C13H14N4OS |
| InChI |
InChI=1S/C13H14N4OS/c1-8(18)17-10-7-5-4-6-9(10)11-12(17)19-13(15-14-11)16(2)3/h4-7,12H,1-3H3 |
| InChIKey |
PTFUMXCUPXYNJH-UHFFFAOYSA-N |
| SMILES |
C1(=NN=C2C(S1)N(C=1C=CC=CC21)C(=O)C)N(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885769 |
![1-(3-dimethylamino-4aH-[1,3,4]thiadiazino[6,5-b]indol-5-yl)ethanone](/api/spectrum/KKylSG2pi5q/structure.png?h=300&w=458 "1-(3-dimethylamino-4aH-[1,3,4]thiadiazino[6,5-b]indol-5-yl)ethanone")
