SpectraBase Compound ID | KxYkfmaKYcM |
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InChI | InChI=1S/C7H14O/c1-3-7(2)5-4-6-8/h3,7-8H,1,4-6H2,2H3/t7-/m1/s1 |
InChIKey | HMLZYBJGMIEFLP-SSDOTTSWSA-N |
Mol Weight | 114.19 g/mol |
Molecular Formula | C7H14O |
Exact Mass | 114.104465 g/mol |
SpectraBase Spectrum ID | Jz43ags3e9l |
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Name | 5-Hexen-1-ol, 4-methyl-, (S)- |
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/c1-3-7(2)5-4-6-8/h3,7-8H,1,4-6H2,2H3/t7-/m1/s1 |
InChIKey | HMLZYBJGMIEFLP-SSDOTTSWSA-N |
Molecular Weight | 114.188 g/mol |
SMILES | C(=C)[C@](CCCO)(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940813 |