![1-Methoxycarbonyl-bicyclo-[1.1.1]-pentane](/api/spectrum/C49eWQN0eUR/structure.png?h=300&w=458 "1-Methoxycarbonyl-bicyclo-[1.1.1]-pentane")
| SpectraBase Compound ID | 8bblXuAkwNH |
|---|---|
| InChI | InChI=1S/C7H10O2/c1-9-6(8)7-2-5(3-7)4-7/h5H,2-4H2,1H3 |
| InChIKey | JLFOFQQASSASLV-UHFFFAOYSA-N |
| Mol Weight | 126.15 g/mol |
| Molecular Formula | C7H10O2 |
| Exact Mass | 126.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C49eWQN0eUR |
|---|---|
| Name | 1-Methoxycarbonyl-bicyclo-[1.1.1]-pentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.068079560 u |
| Formula | C7H10O2 |
| InChI | InChI=1S/C7H10O2/c1-9-6(8)7-2-5(3-7)4-7/h5H,2-4H2,1H3 |
| InChIKey | JLFOFQQASSASLV-UHFFFAOYSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | C(=O)(C12CC(C2)C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933338 |