| SpectraBase Compound ID | IZFS1Lz6GmC |
|---|---|
| InChI | InChI=1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3 |
| InChIKey | TVYVQNHYIHAJTD-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C13H14 |
| Exact Mass | 170.10955 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9rNZNiupI2k |
|---|---|
| Name | 2-Isopropylnaphthalene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.109550451 u |
| Formula | C13H14 |
| InChI | InChI=1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3 |
| InChIKey | TVYVQNHYIHAJTD-UHFFFAOYSA-N |
| Molecular Weight | 170.255 g/mol |
| SMILES | C=12C=CC=CC1C=CC(=C2)C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.962262 |