SpectraBase Compound ID | BW77aol34bV |
---|---|
InChI | InChI=1S/C10H20O/c1-8(2)5-6-9(3)10(4)7-11/h6,8,10-11H,5,7H2,1-4H3/b9-6+ |
InChIKey | IDPUFKMNAHYWMH-RMKNXTFCSA-N |
Mol Weight | 156.27 g/mol |
Molecular Formula | C10H20O |
Exact Mass | 156.151415 g/mol |
SpectraBase Spectrum ID | 1Ri3xrVtw3T |
---|---|
Name | 2,3,6-Trimethylhept-3-en-1-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 156.151415263 u |
Formula | C10H20O |
InChI | InChI=1S/C10H20O/c1-8(2)5-6-9(3)10(4)7-11/h6,8,10-11H,5,7H2,1-4H3/b9-6+ |
InChIKey | IDPUFKMNAHYWMH-RMKNXTFCSA-N |
Molecular Weight | 156.269 g/mol |
SMILES | CC(C)C\C=C/(C)C(C)CO |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951209 |