SpectraBase Compound ID | 8vctzMSPZus |
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InChI | InChI=1S/C11H12O2/c1-3-8-13-11-7-5-4-6-10(11)9(2)12/h3-7H,1,8H2,2H3 |
InChIKey | FJRGLCZRSCMXSW-UHFFFAOYSA-N |
Mol Weight | 176.21 g/mol |
Molecular Formula | C11H12O2 |
Exact Mass | 176.08373 g/mol |
SpectraBase Spectrum ID | LXgZi3GsPGE |
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Name | 2'-(Allyloxy)acetophenone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 176.083729624 u |
Formula | C11H12O2 |
InChI | InChI=1S/C11H12O2/c1-3-8-13-11-7-5-4-6-10(11)9(2)12/h3-7H,1,8H2,2H3 |
InChIKey | FJRGLCZRSCMXSW-UHFFFAOYSA-N |
Molecular Weight | 176.215 g/mol |
SMILES | C1=C(C(=CC=C1)OCC=C)C(=O)C |
Spectrum/Structure Validation Score (Raman) | 0.950351 |