| SpectraBase Compound ID | At28dim9TxQ |
|---|---|
| InChI | InChI=1S/C17H14/c1-13-9-11-15(12-10-13)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3 |
| InChIKey | JTZVTVSSLYYVAM-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C17H14 |
| Exact Mass | 218.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9x6Hi5G8tkG |
|---|---|
| Name | Naphthalene, 1-(4-methylphenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.109550451 u |
| Formula | C17H14 |
| InChI | InChI=1S/C17H14/c1-13-9-11-15(12-10-13)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3 |
| InChIKey | JTZVTVSSLYYVAM-UHFFFAOYSA-N |
| Molecular Weight | 218.299 g/mol |
| SMILES | C1(=C2C=CC=CC2=CC=C1)C1=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852976 |