SpectraBase Compound ID | 9GaXJ2L5QKh |
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InChI | InChI=1S/C12H16O2/c1-2-11(13)7-6-10-14-12-8-4-3-5-9-12/h2-5,8-9,11,13H,1,6-7,10H2 |
InChIKey | FOYRECNEFQELGJ-UHFFFAOYSA-N |
Mol Weight | 192.26 g/mol |
Molecular Formula | C12H16O2 |
Exact Mass | 192.11503 g/mol |
SpectraBase Spectrum ID | 3LiY5TQBO2G |
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Name | 1-Hexen-3-ol, 6-phenoxy- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 192.115029753 u |
Formula | C12H16O2 |
InChI | InChI=1S/C12H16O2/c1-2-11(13)7-6-10-14-12-8-4-3-5-9-12/h2-5,8-9,11,13H,1,6-7,10H2 |
InChIKey | FOYRECNEFQELGJ-UHFFFAOYSA-N |
Molecular Weight | 192.258 g/mol |
SMILES | C(=C)C(O)CCCOC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962888 |