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2-(3,4,5,6,Tetrahydro-[1,1'-biphenyl]-3-yl)acetaldehyde

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-(3,4,5,6,Tetrahydro-[1,1'-biphenyl]-3-yl)acetaldehyde
SpectraBase Compound ID H22qMS9JE5r
InChI InChI=1S/C14H16O/c15-10-9-12-5-4-8-14(11-12)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2
InChIKey WAFXTRIJXXWXHT-UHFFFAOYSA-N
Mol Weight 200.28 g/mol
Molecular Formula C14H16O
Exact Mass 200.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AktM7l3pbmV
Name 2-(3,4,5,6,Tetrahydro-[1,1'-biphenyl]-3-yl)acetaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.120115134 u
Formula C14H16O
InChI InChI=1S/C14H16O/c15-10-9-12-5-4-8-14(11-12)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2
InChIKey WAFXTRIJXXWXHT-UHFFFAOYSA-N
Molecular Weight 200.281 g/mol
SMILES C1C(C=C(CC1)C1=CC=CC=C1)CC=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965473