![7H-Benzo[de]anthracene](/api/spectrum/GIHf7r4eguF/structure.png?h=300&w=458 "7H-Benzo[de]anthracene")
| SpectraBase Compound ID | 1RBMyNbbk34 |
|---|---|
| InChI | InChI=1S/C17H12/c1-2-9-15-13(5-1)11-14-8-3-6-12-7-4-10-16(15)17(12)14/h1-10H,11H2 |
| InChIKey | NHNOUJCAHMXIGR-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C17H12 |
| Exact Mass | 216.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GIHf7r4eguF |
|---|---|
| Name | 7H-Benzanthrene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.093900386 u |
| Formula | C17H12 |
| InChI | InChI=1S/C17H12/c1-2-9-15-13(5-1)11-14-8-3-6-12-7-4-10-16(15)17(12)14/h1-10H,11H2 |
| InChIKey | NHNOUJCAHMXIGR-UHFFFAOYSA-N |
| Molecular Weight | 216.283 g/mol |
| SMILES | C1=CC=2C3=C4C(C=CC=C4CC2C=C1)=CC=C3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972548 |