| SpectraBase Compound ID | LIqfBiZ5wrC |
|---|---|
| InChI | InChI=1S/C18H24/c1-12-3-13(2)5-17(4-12)18-9-14-6-15(10-18)8-16(7-14)11-18/h3-5,14-16H,6-11H2,1-2H3/t14-,15+,16-,18- |
| InChIKey | QVROSZXSMHWOAF-CMIRHGDUSA-N |
| Mol Weight | 240.39 g/mol |
| Molecular Formula | C18H24 |
| Exact Mass | 240.187801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KxPSdSoS3Wq |
|---|---|
| Name | 1,3-Dimethyl-5-(adamantyl-1)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.187800773 u |
| Formula | C18H24 |
| InChI | InChI=1S/C18H24/c1-12-3-13(2)5-17(4-12)18-9-14-6-15(10-18)8-16(7-14)11-18/h3-5,14-16H,6-11H2,1-2H3/t14-,15+,16-,18- |
| InChIKey | QVROSZXSMHWOAF-CMIRHGDUSA-N |
| Molecular Weight | 240.390 g/mol |
| SMILES | CC1=CC(C)=CC(=C1)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H] |