| SpectraBase Spectrum ID |
Duj8QBYJqAY |
| Name |
1,2-Bisdodecyloxy-4,5-dinitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
536.382537396 u |
| Formula |
C30H52N2O6 |
| InChI |
InChI=1S/C30H52N2O6/c1-3-5-7-9-11-13-15-17-19-21-23-37-29-25-27(31(33)34)28(32(35)36)26-30(29)38-24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3 |
| InChIKey |
PRBBVOZPUGKLQO-UHFFFAOYSA-N |
| Molecular Weight |
536.754 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)N(=O)=O)N(=O)=O)OCCCCCCCCCCCC)OCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837152 |
