cis/Trans-4-cyano-3-phenyl-2-oxabicyclo[6.3.0]undec-3-ene

SpectraBase Compound ID	DOlJn7icgSy
InChI	InChI=1S/C17H19NO/c18-12-15-10-4-8-13-9-5-11-16(13)19-17(15)14-6-2-1-3-7-14/h1-3,6-7,13,16H,4-5,8-11H2/b17-15+
InChIKey	VFKDXSYWOGZUDF-BMRADRMJSA-N Google Search
Mol Weight	253.34 g/mol
Molecular Formula	C17H19NO
Exact Mass	253.146664 g/mol

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SpectraBase Spectrum ID	GGxVPxjt2wn
Name	cis/Trans-4-cyano-3-phenyl-2-oxabicyclo[6.3.0]undec-3-ene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	253.146664235 u
Formula	C17H19NO
InChI	InChI=1S/C17H19NO/c18-12-15-10-4-8-13-9-5-11-16(13)19-17(15)14-6-2-1-3-7-14/h1-3,6-7,13,16H,4-5,8-11H2/b17-15+
InChIKey	VFKDXSYWOGZUDF-BMRADRMJSA-N
Molecular Weight	253.345 g/mol
SMILES	C12O\C(=C/(CCCC2CCC1)C#N)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.805588