| SpectraBase Spectrum ID |
NqYRjR4sNi |
| Name |
4-Methoxy-3-nitrobenzyl alcohol, tert.-butyl ether |
| 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)17-8-9-5-6-11(16-4)10(7-9)13(14)15/h5-7H,8H2,1-4H3 |
| InChIKey |
VAZVNMTUMAIGSR-UHFFFAOYSA-N |
| Molecular Weight |
239.271 g/mol |
| SMILES |
C1(=CC(=C(C=C1)OC)N(=O)=O)COC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909609 |
