| SpectraBase Compound ID | 8yz5xvNaD96 |
|---|---|
| InChI | InChI=1S/C13H18/c1-9(2)11-8-7-10(3)12-5-4-6-13(11)12/h7-9H,4-6H2,1-3H3 |
| InChIKey | VDZMZRXUTJXVAX-UHFFFAOYSA-N |
| Mol Weight | 174.29 g/mol |
| Molecular Formula | C13H18 |
| Exact Mass | 174.140851 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | G1OQRUT4b9u |
|---|---|
| Name | 4-Isopropyl-7-methylindan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.140850580 u |
| Formula | C13H18 |
| InChI | InChI=1S/C13H18/c1-9(2)11-8-7-10(3)12-5-4-6-13(11)12/h7-9H,4-6H2,1-3H3 |
| InChIKey | VDZMZRXUTJXVAX-UHFFFAOYSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | CC(C1=CC=C(C)C2=C1CCC2)C |
| Spectrum/Structure Validation Score (Raman) | 0.992454 |