1-Formyl-[2.2]paracyclophane-1,9-diene

SpectraBase Compound ID	7sBxsr8H0rP
InChI	InChI=1S/C17H12O/c18-12-17-11-15-5-3-13(4-6-15)1-2-14-7-9-16(17)10-8-14/h1-12H/b2-1-,13-1-,14-2-,15-11-,17-11-,17-16+
InChIKey	IOHGFXYLBIIPSS-BLTGSUTOSA-N Google Search
Mol Weight	232.28 g/mol
Molecular Formula	C17H12O
Exact Mass	232.088815 g/mol

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SpectraBase Spectrum ID	6l3hsXynqb7
Name	1-Formyl-[2.2]paracyclophane-1,9-diene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	232.088815005 u
Formula	C17H12O
InChI	InChI=1S/C17H12O/c18-12-17-11-15-5-3-13(4-6-15)1-2-14-7-9-16(17)10-8-14/h1-12H/b2-1-,13-1-,14-2-,15-11-,17-11-,17-16+
InChIKey	IOHGFXYLBIIPSS-BLTGSUTOSA-N
Molecular Weight	232.282 g/mol
SMILES	C1=2\C=C/(C3=CC=C(\C=C/C(=CC2)C=C1)C=C3)C=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.943312