| SpectraBase Spectrum ID |
68Ft5RwRUQl |
| Name |
1,4-Naphthalenediol, 5-amino-2,3-dichloro-, diacetate (ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.006513234 u |
| Formula |
C14H11Cl2NO4 |
| InChI |
InChI=1S/C14H11Cl2NO4/c1-6(18)20-13-8-4-3-5-9(17)10(8)14(21-7(2)19)12(16)11(13)15/h3-5H,17H2,1-2H3 |
| InChIKey |
FVMZSXRMRWVHER-UHFFFAOYSA-N |
| Molecular Weight |
328.151 g/mol |
| SMILES |
CC(=O)OC1=C(Cl)C(Cl)=C(OC(C)=O)C2=C1C=CC=C2N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932362 |
