| SpectraBase Spectrum ID |
EcN7uzinDNf |
| Name |
1-Tert-butyl-2,5-dimethoxy-4-nitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.115758027 u |
| Formula |
C12H17NO4 |
| InChI |
InChI=1S/C12H17NO4/c1-12(2,3)8-6-11(17-5)9(13(14)15)7-10(8)16-4/h6-7H,1-5H3 |
| InChIKey |
JJFIHQDOWZMNSM-UHFFFAOYSA-N |
| Molecular Weight |
239.271 g/mol |
| SMILES |
C1(N(=O)=O)=CC(OC)=C(C=C1OC)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929551 |
