SpectraBase Compound ID | Cto2AqSRelh |
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InChI | InChI=1S/C11H14O2/c1-9(13-10(2)12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3 |
InChIKey | LOHDWLZDQXQLJA-UHFFFAOYSA-N |
Mol Weight | 178.23 g/mol |
Molecular Formula | C11H14O2 |
Exact Mass | 178.09938 g/mol |
SpectraBase Spectrum ID | 8mJof50OZTU |
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Name | (.+/-.)-1-phenyl-propan-2-ol, N-(acetyl) |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 178.099379689 u |
Formula | C11H14O2 |
InChI | InChI=1S/C11H14O2/c1-9(13-10(2)12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3 |
InChIKey | LOHDWLZDQXQLJA-UHFFFAOYSA-N |
Molecular Weight | 178.231 g/mol |
SMILES | C1(=CC=CC=C1)CC(OC(C)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927351 |