![2,6,6-Trimethylbicyclo[3.1.1]heptane](/api/spectrum/JwbwXBuu79T/structure.png?h=300&w=458 "2,6,6-Trimethylbicyclo[3.1.1]heptane")
| SpectraBase Compound ID | B3iVcEHu0jW |
|---|---|
| InChI | InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7?,8-,9-/m1/s1 |
| InChIKey | XOKSLPVRUOBDEW-CFCGPWAMSA-N |
| Mol Weight | 138.25 g/mol |
| Molecular Formula | C10H18 |
| Exact Mass | 138.140851 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JwbwXBuu79T |
|---|---|
| Name | 2,6,6-Trimethylbicyclo[3.1.1]heptane |
| Alternate Name(s) | (-)-trans-Pinane (1alpha,2beta,5alpha)-2,6,6-trimethylbicyclo(3.1.1)heptane 1a,2b,5a-2,6,6-Trimethylbicyclo(3.1.1)heptane 2,6,6-Trimethylbicyclo(3.1.1)heptane 2,6,6-Trimethylnorpinane Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1.alpha.,2.beta.,5.alpha.)- 4,6,6-trimethylbicyclo[3.1.1]heptane Bicyclo[3.1.1]heptane, 2,6,6-trimethyl- Bicyclo(3.1.1)heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel- Bicyclo(3.1.1)heptane, 2,6,6-trimethyl-, cis- Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, [1R-(1.alpha.,2.alpha.,5.alpha.)]- Pinane, stereoisomer Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, [1R-(1.alpha.,2.beta.,5.alpha.)]- Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, [1S-(1.alpha.,2.beta.,5.alpha.)]- Pinane cis-Pinane Dihydropinene AI3-26466 EINECS 207-467-1 EINECS 229-978-9 HSDB 5664 NSC 76674 |
| CAS Registry Number | 473-55-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H18 |
| InChI | InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7?,8-,9-/m1/s1 |
| InChIKey | XOKSLPVRUOBDEW-CFCGPWAMSA-N |
| Molecular Weight | 138.254 g/mol |
| SMILES | CC1(C)[C@@]2(C[C@]1(CCC2C)[H])[H] |
| SPLASH | splash10-05o3-9000000000-073275d9b677b7213ba3 |
| Source of Spectrum | MC-0-46-0 |
| Wiley ID | 1138442 |