| SpectraBase Spectrum ID |
3HHX9m1gG3C |
| Name |
2-Ethyl-5,6-dihydro-4H-3-thia-6A,11B-diazabenzo[G]cyclopenta[E]azulene-1,7-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.093248935 u |
| Formula |
C16H16N2O2S |
| InChI |
InChI=1S/C16H16N2O2S/c1-2-13-15(20)18-11-7-4-3-6-10(11)14(19)17-9-5-8-12(17)16(18)21-13/h3-4,6-7,13H,2,5,8-9H2,1H3 |
| InChIKey |
IUZAKIYIQNIGIS-UHFFFAOYSA-N |
| Molecular Weight |
300.376 g/mol |
| SMILES |
C1=2N(C=3C(C(N4C2CCC4)=O)=CC=CC3)C(C(S1)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927126 |
![2-Ethyl-5,6-dihydro-4H-3-thia-6a,11b-diazabenzo[g]cyclopenta[e]azulene-1,7-dione](/api/spectrum/3HHX9m1gG3C/structure.png?h=300&w=458 "2-Ethyl-5,6-dihydro-4H-3-thia-6a,11b-diazabenzo[g]cyclopenta[e]azulene-1,7-dione")
