SpectraBase Compound ID | 15O2kjeVsos |
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InChI | InChI=1S/C6H12O2/c1-4-8-6(3)5(2)7/h4-7H,1H2,2-3H3 |
InChIKey | AIMHDHRQXOBBTL-UHFFFAOYSA-N |
Mol Weight | 116.16 g/mol |
Molecular Formula | C6H12O2 |
Exact Mass | 116.08373 g/mol |
SpectraBase Spectrum ID | 5YfimjYfaLZ |
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Name | 2-Butanol, 3-(ethenyloxy)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 116.083729624 u |
Formula | C6H12O2 |
InChI | InChI=1S/C6H12O2/c1-4-8-6(3)5(2)7/h4-7H,1H2,2-3H3 |
InChIKey | AIMHDHRQXOBBTL-UHFFFAOYSA-N |
Molecular Weight | 116.160 g/mol |
SMILES | OC(C(OC=C)C)C |
Spectrum/Structure Validation Score (Raman) | 0.933138 |