| SpectraBase Spectrum ID |
KTIDt8YnUK0 |
| Name |
Decan-2-yl 3,5-dinitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.163436495 u |
| Formula |
C17H24N2O6 |
| InChI |
InChI=1S/C17H24N2O6/c1-3-4-5-6-7-8-9-13(2)25-17(20)14-10-15(18(21)22)12-16(11-14)19(23)24/h10-13H,3-9H2,1-2H3 |
| InChIKey |
HPYNBZPBELXXHU-UHFFFAOYSA-N |
| Molecular Weight |
352.387 g/mol |
| SMILES |
C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OC(C)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87607 |
