| SpectraBase Compound ID | 2ixVdVQ8q2F |
|---|---|
| InChI | InChI=1S/C13H16/c1-10-8-9-11-6-4-5-7-12(11)13(10,2)3/h4-10H,1-3H3 |
| InChIKey | LNTKBBRCAIFQLG-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 | 2YHXGGfHfal |
|---|---|
| Name | 1,1,2-Trimethyl-1,2-dihydro-naphthalene |
| 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/c1-10-8-9-11-6-4-5-7-12(11)13(10,2)3/h4-10H,1-3H3 |
| InChIKey | LNTKBBRCAIFQLG-UHFFFAOYSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | C1(C)(C)C2=C(C=CC=C2)C=CC1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958646 |