SpectraBase Compound ID | 3yW23rXtWbc |
---|---|
InChI | InChI=1S/C16H12O/c1-2-4-12-8-15-9-14(16-10-17-16)6-5-13(15)7-11(12)3-1/h1-9,16H,10H2 |
InChIKey | UDWHVMQIIMIQTA-UHFFFAOYSA-N |
Mol Weight | 220.27 g/mol |
Molecular Formula | C16H12O |
Exact Mass | 220.088815 g/mol |
SpectraBase Spectrum ID | Il6FCllL1z4 |
---|---|
Name | 2-Anthracenyloxirane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 220.088815005 u |
Formula | C16H12O |
InChI | InChI=1S/C16H12O/c1-2-4-12-8-15-9-14(16-10-17-16)6-5-13(15)7-11(12)3-1/h1-9,16H,10H2 |
InChIKey | UDWHVMQIIMIQTA-UHFFFAOYSA-N |
Molecular Weight | 220.271 g/mol |
SMILES | C1=CC=C2C(=C1)C=C1C(=C2)C=CC(=C1)C1OC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.821986 |