| SpectraBase Spectrum ID |
GX5YNmjXS1O |
| Name |
1,4-Dibutoxy-2-chlorobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.123007614 u |
| Formula |
C14H21ClO2 |
| InChI |
InChI=1S/C14H21ClO2/c1-3-5-9-16-12-7-8-14(13(15)11-12)17-10-6-4-2/h7-8,11H,3-6,9-10H2,1-2H3 |
| InChIKey |
YXZPUUPBQVIBTL-UHFFFAOYSA-N |
| Molecular Weight |
256.773 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OCCCC)Cl)OCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970005 |
