SpectraBase Spectrum ID |
ApPfoGJ0DW4 |
Name |
2,3-bis(3-Chlorophenyl)naphtho[1,8-bc]pyran |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
388.042170470 u |
Formula |
C24H14Cl2O |
InChI |
InChI=1S/C24H14Cl2O/c25-18-9-1-7-16(13-18)23-20-11-3-5-15-6-4-12-21(22(15)20)27-24(23)17-8-2-10-19(26)14-17/h1-14H |
InChIKey |
CPUJGZWUWJBGCQ-UHFFFAOYSA-N |
Molecular Weight |
389.281 g/mol |
SMILES |
C=1C=2C(=C(C3=CC(=CC=C3)Cl)OC3=CC=CC(=CC1)C23)C1=CC=CC(=C1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894841 |