| SpectraBase Spectrum ID |
BGq8eTJSVQA |
| Name |
cis-2-Hydroxycyclohexanecarboxylic acid, methyl ester, 3,5-dinitrobenzoate (ester) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.090665475 u |
| Formula |
C15H16N2O8 |
| InChI |
InChI=1S/C15H16N2O8/c1-24-15(19)12-4-2-3-5-13(12)25-14(18)9-6-10(16(20)21)8-11(7-9)17(22)23/h6-8,12-13H,2-5H2,1H3 |
| InChIKey |
DJBOYDXTDBHVNN-UHFFFAOYSA-N |
| Molecular Weight |
352.299 g/mol |
| SMILES |
N(=O)(=O)C1=CC(=CC(=C1)C(OC1C(CCCC1)C(OC)=O)=O)N(=O)=O |
