SpectraBase Compound ID | 1We1DAB15KI |
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InChI | InChI=1S/C11H16O2/c12-8-1-2-10-3-5-11(6-4-10)7-9-13/h3-6,12-13H,1-2,7-9H2 |
InChIKey | IWKUGFADBCLUAP-UHFFFAOYSA-N |
Mol Weight | 180.25 g/mol |
Molecular Formula | C11H16O2 |
Exact Mass | 180.11503 g/mol |
SpectraBase Spectrum ID | 5KoH69xIFC2 |
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Name | 3-[4-(2-Hydroxy-ethyl)-phenyl]-propan-1-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 180.115029753 u |
Formula | C11H16O2 |
InChI | InChI=1S/C11H16O2/c12-8-1-2-10-3-5-11(6-4-10)7-9-13/h3-6,12-13H,1-2,7-9H2 |
InChIKey | IWKUGFADBCLUAP-UHFFFAOYSA-N |
Molecular Weight | 180.247 g/mol |
SMILES | C=1(C=CC(=CC1)CCCO)CCO |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938922 |