| SpectraBase Spectrum ID |
8AmfRbNf6GE |
| Name |
2-(4-Nitrophenoxy)ethanol, 2-methylpropyl 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/c1-10(2)9-16-7-8-17-12-5-3-11(4-6-12)13(14)15/h3-6,10H,7-9H2,1-2H3 |
| InChIKey |
WBVSLJBYSMGDKE-UHFFFAOYSA-N |
| Molecular Weight |
239.271 g/mol |
| SMILES |
C1(=CC=C(C=C1)N(=O)=O)OCCOCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951179 |
