| SpectraBase Compound ID | vEQiTSHUER |
|---|---|
| InChI | InChI=1S/C7H14O/c1-6-4-3-5-7(6)8-2/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1 |
| InChIKey | HMMJMDWGCVGCCK-RQJHMYQMSA-N |
| Mol Weight | 114.19 g/mol |
| Molecular Formula | C7H14O |
| Exact Mass | 114.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4BWwPkQpZr8 |
|---|---|
| Name | (1S,2R)-1-Methoxy-2-methyl-cyclopentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.104465070 u |
| Formula | C7H14O |
| InChI | InChI=1S/C7H14O/c1-6-4-3-5-7(6)8-2/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1 |
| InChIKey | HMMJMDWGCVGCCK-RQJHMYQMSA-N |
| Molecular Weight | 114.188 g/mol |
| SMILES | [C@@]1([C@@](CCC1)(C)[H])(OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973297 |