| SpectraBase Spectrum ID |
Ea5LABB8Iel |
| Name |
but-2-yne-1,4-Diol, o,o'-bis(3-nitrobenzoyl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.059365346 u |
| Formula |
C18H12N2O8 |
| InChI |
InChI=1S/C18H12N2O8/c21-17(13-5-3-7-15(11-13)19(23)24)27-9-1-2-10-28-18(22)14-6-4-8-16(12-14)20(25)26/h3-8,11-12H,9-10H2 |
| InChIKey |
ATQBLDVRTSDZAH-UHFFFAOYSA-N |
| Molecular Weight |
384.300 g/mol |
| SMILES |
C1=CC(N(=O)=O)=CC(C(OCC#CCOC(C=2C=CC=C(N(=O)=O)C2)=O)=O)=C1 |
