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3-(4-Methoxyphenyl)-4,4-dimethyl-3-hepta-1,6-dienol

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3-(4-Methoxyphenyl)-4,4-dimethyl-3-hepta-1,6-dienol
SpectraBase Compound ID 5IwPMKxnOLd
InChI InChI=1S/C16H22O2/c1-6-12-15(3,4)16(17,7-2)13-8-10-14(18-5)11-9-13/h6-11,17H,1-2,12H2,3-5H3
InChIKey GKRXTPNPQMFJAE-UHFFFAOYSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8ql36ovSAir
Name 3-(4-Methoxyphenyl)-4,4-dimethyl-3-hepta-1,6-dienol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.161979946 u
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-6-12-15(3,4)16(17,7-2)13-8-10-14(18-5)11-9-13/h6-11,17H,1-2,12H2,3-5H3
InChIKey GKRXTPNPQMFJAE-UHFFFAOYSA-N
Molecular Weight 246.350 g/mol
SMILES C=CC(C(CC=C)(C)C)(O)C=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929568