SpectraBase Compound ID | 34mPo8sGYai |
---|---|
InChI | InChI=1S/C22H14O/c23-21-11-5-10-19-17(21)12-13-20-16-8-2-1-6-14(16)15-7-3-4-9-18(15)22(19)20/h1-13,23H |
InChIKey | UVPHMKBQSYFLMF-UHFFFAOYSA-N |
Mol Weight | 294.35 g/mol |
Molecular Formula | C22H14O |
Exact Mass | 294.104465 g/mol |
SpectraBase Spectrum ID | EMPh4h1zT5J |
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Name | 11-Hydroxy-benzo[G]chrysene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 294.104465070 u |
Formula | C22H14O |
InChI | InChI=1S/C22H14O/c23-21-11-5-10-19-17(21)12-13-20-16-8-2-1-6-14(16)15-7-3-4-9-18(15)22(19)20/h1-13,23H |
InChIKey | UVPHMKBQSYFLMF-UHFFFAOYSA-N |
SMILES | C=12C(C3=CC=CC=C3C3=C2C=CC=C3)=CC=C2C1C=CC=C2O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914277 |