| SpectraBase Spectrum ID |
2c8YaQKZafz |
| Name |
2-Methoxy-5-nitrophenol, 3-methylbutyl 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/c1-9(2)6-7-17-12-8-10(13(14)15)4-5-11(12)16-3/h4-5,8-9H,6-7H2,1-3H3 |
| InChIKey |
KDDNZMCAUUCCGH-UHFFFAOYSA-N |
| Molecular Weight |
239.271 g/mol |
| SMILES |
C1(=CC(OCCC(C)C)=C(C=C1)OC)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946874 |
