![1-Aza-5-[2-(1,3-dithianylidene)]bicyclo[4.4.0]decan-10-one](/api/spectrum/7l1b9b7LhrU/structure.png?h=300&w=458 "1-Aza-5-[2-(1,3-dithianylidene)]bicyclo[4.4.0]decan-10-one")
| SpectraBase Compound ID | D0zhLkjMdfD |
|---|---|
| InChI | InChI=1S/C13H19NOS2/c15-12-6-1-5-11-10(4-2-7-14(11)12)13-16-8-3-9-17-13/h11H,1-9H2 |
| InChIKey | KEFNDYUOTAAVLF-UHFFFAOYSA-N |
| Mol Weight | 269.42 g/mol |
| Molecular Formula | C13H19NOS2 |
| Exact Mass | 269.090807 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7l1b9b7LhrU |
|---|---|
| Name | 1-aza-5-[2-(1,3-Dithianylidene)]bicyclo[4.4.0]decan-10-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.090806583 u |
| Formula | C13H19NOS2 |
| InChI | InChI=1S/C13H19NOS2/c15-12-6-1-5-11-10(4-2-7-14(11)12)13-16-8-3-9-17-13/h11H,1-9H2 |
| InChIKey | KEFNDYUOTAAVLF-UHFFFAOYSA-N |
| SMILES | C1(C2N(C(=O)CCC2)CCC1)=C1SCCCS1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.886391 |