| SpectraBase Compound ID | 6xLNcg7qGzi |
|---|---|
| InChI | InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3 |
| InChIKey | KUMXLFIBWFCMOJ-UHFFFAOYSA-N |
| Mol Weight | 114.23 g/mol |
| Molecular Formula | C8H18 |
| Exact Mass | 114.140851 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7GOO1d5Ab7Z |
|---|---|
| Name | Hexane, 3,3-dimethyl- |
| Alternate Name(s) | 3,3-Dimethylhexane EINECS 209-243-9 NSC 74174 |
| CAS Registry Number | 563-16-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H18 |
| InChI | InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3 |
| InChIKey | KUMXLFIBWFCMOJ-UHFFFAOYSA-N |
| Molecular Weight | 114.232 g/mol |
| SMILES | CC(CCC)(CC)C |
| SPLASH | splash10-0006-9000000000-ea54a5e2c8640c53f4ed |
| Source of Spectrum | AA-0-410-4 |
| Wiley ID | 3342 |