| SpectraBase Compound ID | I2pHogf3prR |
|---|---|
| InChI | InChI=1S/C12H16/c1-10(2)9-11(3)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3 |
| InChIKey | UITGPFDMCDXUSB-UHFFFAOYSA-N |
| Mol Weight | 160.26 g/mol |
| Molecular Formula | C12H16 |
| Exact Mass | 160.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjDcIEMMtic |
|---|---|
| Name | Benzene, (3-methyl-1-methylenebutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.125200515 u |
| Formula | C12H16 |
| InChI | InChI=1S/C12H16/c1-10(2)9-11(3)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3 |
| InChIKey | UITGPFDMCDXUSB-UHFFFAOYSA-N |
| Molecular Weight | 160.260 g/mol |
| SMILES | C(C(=C)C1=CC=CC=C1)C(C)C |