SpectraBase Compound ID | HIIstFEVPu7 |
---|---|
InChI | InChI=1S/C7H14O/c1-4-8-6-5-7(2)3/h4,7H,1,5-6H2,2-3H3 |
InChIKey | QIUCYKBVFAPWRR-UHFFFAOYSA-N |
Mol Weight | 114.19 g/mol |
Molecular Formula | C7H14O |
Exact Mass | 114.104465 g/mol |
SpectraBase Spectrum ID | IHu8w2i0GKt |
---|---|
Name | Butane, 1-(ethenyloxy)-3-methyl- |
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/c1-4-8-6-5-7(2)3/h4,7H,1,5-6H2,2-3H3 |
InChIKey | QIUCYKBVFAPWRR-UHFFFAOYSA-N |
Molecular Weight | 114.188 g/mol |
SMILES | CC(C)CCOC=C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980671 |