![Hexadecahydro-benzo[de]anthracene](/api/spectrum/H5HK2Db7vkk/structure.png?h=300&w=458 "Hexadecahydro-benzo[de]anthracene")
| SpectraBase Compound ID | 83QOZPoCn4R |
|---|---|
| InChI | InChI=1S/C17H28/c1-2-9-15-13(5-1)11-14-8-3-6-12-7-4-10-16(15)17(12)14/h12-17H,1-11H2 |
| InChIKey | FDGCDDGEFJIMQS-UHFFFAOYSA-N |
| Mol Weight | 232.41 g/mol |
| Molecular Formula | C17H28 |
| Exact Mass | 232.219101 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H5HK2Db7vkk |
|---|---|
| Name | Hexadecahydro-benzo[de]anthracene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.219100902 u |
| Formula | C17H28 |
| InChI | InChI=1S/C17H28/c1-2-9-15-13(5-1)11-14-8-3-6-12-7-4-10-16(15)17(12)14/h12-17H,1-11H2 |
| InChIKey | FDGCDDGEFJIMQS-UHFFFAOYSA-N |
| Molecular Weight | 232.411 g/mol |
| SMILES | C12CCCC3C2C(C2C(C1)CCCC2)CCC3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953192 |