| SpectraBase Compound ID | 9Y0JSVMVX1a |
|---|---|
| InChI | InChI=1S/C8H8N2O4/c9-7(11)13-5-3-1-2-4-6-14-8(10)12/h5-6H2,(H2,9,11)(H2,10,12) |
| InChIKey | NYGNABUTNDOKFQ-UHFFFAOYSA-N |
| Mol Weight | 196.16 g/mol |
| Molecular Formula | C8H8N2O4 |
| Exact Mass | 196.048407 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FOH3Kh7v85L |
|---|---|
| Name | 2,4-Hexadiyne-1,6-diol, dicarbamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.048406742 u |
| Formula | C8H8N2O4 |
| InChI | InChI=1S/C8H8N2O4/c9-7(11)13-5-3-1-2-4-6-14-8(10)12/h5-6H2,(H2,9,11)(H2,10,12) |
| InChIKey | NYGNABUTNDOKFQ-UHFFFAOYSA-N |
| Molecular Weight | 196.162 g/mol |
| SMILES | C(N)(=O)OCC#CC#CCOC(N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898475 |