SpectraBase Compound ID | 5Jz3Ce1A6b3 |
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InChI | InChI=1S/C8H14O2/c1-2-4-8-7(9)5-3-6-10-8/h2,7-9H,1,3-6H2/t7-,8?/m1/s1 |
InChIKey | BTKDCGCMIXPGNH-GVHYBUMESA-N |
Mol Weight | 142.2 g/mol |
Molecular Formula | C8H14O2 |
Exact Mass | 142.09938 g/mol |
SpectraBase Spectrum ID | IT4E0Fsapg0 |
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Name | 2-Allyl-3-hydroxytetrapyran |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 142.099379689 u |
Formula | C8H14O2 |
InChI | InChI=1S/C8H14O2/c1-2-4-8-7(9)5-3-6-10-8/h2,7-9H,1,3-6H2/t7-,8?/m1/s1 |
InChIKey | BTKDCGCMIXPGNH-GVHYBUMESA-N |
Molecular Weight | 142.198 g/mol |
SMILES | C1(OCCC[C@]1(O)[H])CC=C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92621 |