| SpectraBase Spectrum ID |
ENuSmh0bEqR |
| Name |
2-(4-Chloro-m-tolyloxy)ethanol, p-nitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.056050250 u |
| Formula |
C16H14ClNO5 |
| InChI |
InChI=1S/C16H14ClNO5/c1-11-10-14(6-7-15(11)17)22-8-9-23-16(19)12-2-4-13(5-3-12)18(20)21/h2-7,10H,8-9H2,1H3 |
| InChIKey |
FDIQCRPZONTSBP-UHFFFAOYSA-N |
| Molecular Weight |
335.743 g/mol |
| SMILES |
N(=O)(=O)C1=CC=C(C=C1)C(OCCOC=1C=C(C(=CC1)Cl)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.734514 |
