| SpectraBase Compound ID | EXBb937zL45 |
|---|---|
| InChI | InChI=1S/C12H26/c1-6-12(11(4)5)9-7-8-10(2)3/h10-12H,6-9H2,1-5H3 |
| InChIKey | XEMFRSYZKNPRTA-UHFFFAOYSA-N |
| Mol Weight | 170.34 g/mol |
| Molecular Formula | C12H26 |
| Exact Mass | 170.203451 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | mb4Cadoz6m |
|---|---|
| Name | OCTANE, 3-ETHYL-2,7-DIMETHYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H26 |
| InChI | InChI=1S/C12H26/c1-6-12(11(4)5)9-7-8-10(2)3/h10-12H,6-9H2,1-5H3 |
| InChIKey | XEMFRSYZKNPRTA-UHFFFAOYSA-N |
| Instrument Name | CH4 |
| Molecular Weight | 170.2028 |
| SMILES | CC(CCCC(C(C)C)CC)C |
| SPLASH | splash10-052f-9000000000-807611a5559c8127bfe4 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |