| SpectraBase Compound ID | 9pcljmNLHz6 |
|---|---|
| InChI | InChI=1S/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey | CJGXJKVMUHXVHL-UHFFFAOYSA-N |
| Mol Weight | 148.25 g/mol |
| Molecular Formula | C11H16 |
| Exact Mass | 148.125201 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8C58y0y2zd4 |
|---|---|
| Name | Neopentylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.125200515 u |
| Formula | C11H16 |
| InChI | InChI=1S/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey | CJGXJKVMUHXVHL-UHFFFAOYSA-N |
| Molecular Weight | 148.249 g/mol |
| SMILES | C=1C(=CC=CC1)CC(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.963949 |