SpectraBase Compound ID | 4vmaRkIrFPL |
---|---|
InChI | InChI=1S/C11H22O/c1-3-5-6-7-8-9-10-11(12)4-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7- |
InChIKey | MXRIMDGIWUYWAK-FPLPWBNLSA-N |
Mol Weight | 170.3 g/mol |
Molecular Formula | C11H22O |
Exact Mass | 170.167065 g/mol |
SpectraBase Spectrum ID | 6xRlGiDGhn3 |
---|---|
Name | 6-Undecen-3-ol, (Z)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 170.167065327 u |
Formula | C11H22O |
InChI | InChI=1S/C11H22O/c1-3-5-6-7-8-9-10-11(12)4-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7- |
InChIKey | MXRIMDGIWUYWAK-FPLPWBNLSA-N |
Molecular Weight | 170.296 g/mol |
SMILES | C(\C=C/CCC(O)CC)CCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970193 |