| SpectraBase Spectrum ID |
278Aa939jSS |
| Name |
3-Chloro-2-nitrobenzyl alcohol, 1-methylpropyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.066221012 u |
| Formula |
C11H14ClNO3 |
| InChI |
InChI=1S/C11H14ClNO3/c1-3-8(2)16-7-9-5-4-6-10(12)11(9)13(14)15/h4-6,8H,3,7H2,1-2H3 |
| InChIKey |
ITRBEMGEXNPXKH-UHFFFAOYSA-N |
| Molecular Weight |
243.690 g/mol |
| SMILES |
C1(=C(C=CC=C1COC(CC)C)Cl)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83376 |
