| SpectraBase Compound ID | I5fkmfjPCEO |
|---|---|
| InChI | InChI=1S/C17H28/c1-11-10-14-6-2-4-12-8-9-13-5-3-7-15(11)17(13)16(12)14/h11-17H,2-10H2,1H3 |
| InChIKey | WZDWVENVORGDAN-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 | 5Peb9zxddSZ |
|---|---|
| Name | 4-Methyl-hexadecahydro-pyrene |
| 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/c1-11-10-14-6-2-4-12-8-9-13-5-3-7-15(11)17(13)16(12)14/h11-17H,2-10H2,1H3 |
| InChIKey | WZDWVENVORGDAN-UHFFFAOYSA-N |
| Molecular Weight | 232.411 g/mol |
| SMILES | C1C2C3C4C(C1C)CCCC4CCC3CCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934692 |