| SpectraBase Compound ID | E0wBCOp9Ln1 |
|---|---|
| InChI | InChI=1S/C13H16/c1-9-4-5-13-11(3)6-10(2)8-12(13)7-9/h6-8H,4-5H2,1-3H3 |
| InChIKey | RIWYWRMWWXLHPP-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C13H16 |
| Exact Mass | 172.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1T0AJB1dJzo |
|---|---|
| Name | Naphthalene, 1,2-dihydro-3,6,8-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.125200515 u |
| Formula | C13H16 |
| InChI | InChI=1S/C13H16/c1-9-4-5-13-11(3)6-10(2)8-12(13)7-9/h6-8H,4-5H2,1-3H3 |
| InChIKey | RIWYWRMWWXLHPP-UHFFFAOYSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | C1(C)=C2C(=CC(=C1)C)C=C(CC2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894381 |