| SpectraBase Spectrum ID |
IYXUCxN50FN |
| Name |
Naphthalene, 3-methoxy-1-nitro-2-(pentachlorophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.894681619 u |
| Formula |
C17H8Cl5NO3 |
| InChI |
InChI=1S/C17H8Cl5NO3/c1-26-9-6-7-4-2-3-5-8(7)17(23(24)25)10(9)11-12(18)14(20)16(22)15(21)13(11)19/h2-6H,1H3 |
| InChIKey |
PUAHMVVKVQUABF-UHFFFAOYSA-N |
| Molecular Weight |
451.520 g/mol |
| SMILES |
C1=2C(=CC=CC2)C(=C(C(=C1)OC)C=1C(Cl)=C(C(=C(Cl)C1Cl)Cl)Cl)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834818 |
