| SpectraBase Compound ID | 9lH8pACG4OF |
|---|---|
| InChI | InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1 InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1 |
| InChIKey | SAHWBARCQUAFSM-WDSKDSINSA-N |
| Mol Weight | 84.16 g/mol |
| Molecular Formula | C6H12 |
| Exact Mass | 84.0939 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5p38EZQ2nAQ |
|---|---|
| Name | Trans-1-ethyl-2-methylcyclopropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 84.093900386 u |
| Formula | C6H12 |
| InChI | InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1 |
| InChIKey | SAHWBARCQUAFSM-WDSKDSINSA-N |
| Molecular Weight | 84.162 g/mol |
| SMILES | [C@]1([H])(C[C@@]1(C)[H])CC |
| Spectrum/Structure Validation Score (Raman) | 0.961589 |