| SpectraBase Spectrum ID |
EHVgLbJDSvG |
| Name |
1-Methoxy-2-(1-(2-methoxy-5-methylphenyl)-2-methylpropyl)-4-methyl-5-nitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.178358285 u |
| Formula |
C20H25NO4 |
| InChI |
InChI=1S/C20H25NO4/c1-12(2)20(15-9-13(3)7-8-18(15)24-5)16-10-14(4)17(21(22)23)11-19(16)25-6/h7-12,20H,1-6H3 |
| InChIKey |
HVGRYURAMRSXHW-UHFFFAOYSA-N |
| Molecular Weight |
343.423 g/mol |
| SMILES |
C1=C(C(=CC(=C1[N+]([O-])=O)C)C(C1=C(C=CC(=C1)C)OC)C(C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952399 |
