SpectraBase Compound ID | 34MXyqvKAnI |
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InChI | InChI=1S/C8H14O/c1-4-8(3)5-7(8)6(2)9/h4,6-7,9H,1,5H2,2-3H3 |
InChIKey | DEQQNFNELOSYGA-UHFFFAOYSA-N |
Mol Weight | 126.2 g/mol |
Molecular Formula | C8H14O |
Exact Mass | 126.104465 g/mol |
SpectraBase Spectrum ID | C7wTb6t2SfL |
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Name | Cyclopropanemethanol, 2-ethenyl-.alpha.,2-dimethyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 126.104465070 u |
Formula | C8H14O |
InChI | InChI=1S/C8H14O/c1-4-8(3)5-7(8)6(2)9/h4,6-7,9H,1,5H2,2-3H3 |
InChIKey | DEQQNFNELOSYGA-UHFFFAOYSA-N |
Molecular Weight | 126.199 g/mol |
SMILES | C1(C(C(O)C)C1)(C=C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85408 |