SpectraBase Compound ID | KCZwV0cblyu |
---|---|
InChI | InChI=1S/C7H12O/c1-2-5-8-6-7-3-4-7/h2,7H,1,3-6H2 |
InChIKey | DULBLGBYHDITIN-UHFFFAOYSA-N |
Mol Weight | 112.17 g/mol |
Molecular Formula | C7H12O |
Exact Mass | 112.088815 g/mol |
SpectraBase Spectrum ID | 4i04xXeYutx |
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Name | Cyclopropane, [(2-propenyloxy)methyl]- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 112.088815005 u |
Formula | C7H12O |
InChI | InChI=1S/C7H12O/c1-2-5-8-6-7-3-4-7/h2,7H,1,3-6H2 |
InChIKey | DULBLGBYHDITIN-UHFFFAOYSA-N |
Molecular Weight | 112.172 g/mol |
SMILES | C1CC1COCC=C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866802 |