![Benzo[a]heptalene](/api/spectrum/igvyiOA8e/structure.png?h=300&w=458 "Benzo[a]heptalene")
| SpectraBase Compound ID | CjkDfxfRFxy |
|---|---|
| InChI | InChI=1S/C16H12/c1-2-7-13-9-6-10-14-8-4-5-12-16(14)15(13)11-3-1/h1-12H |
| InChIKey | DUEHUNQUSHNVAX-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C16H12 |
| Exact Mass | 204.0939 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | igvyiOA8e |
|---|---|
| Name | benzo[a]heptalene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H12 |
| InChI | InChI=1S/C16H12/c1-2-7-13-9-6-10-14-8-4-5-12-16(14)15(13)11-3-1/h1-12H |
| InChIKey | DUEHUNQUSHNVAX-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/hlca.19970800506 |
| Molecular Weight | 204.272 g/mol |
| SMILES | c1ccc2c(c1)C=CC=C1C2=CC=CC=C1 |
| SPLASH | splash10-0udi-1590000000-116a10ba39a683bdf091 |
| Source of Spectrum | H-80-1398-2 |
| Wiley ID | 1785296 |