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1-Methyl-3-(3-phenylpropyl)-7-oxobicyclo[2.2.1]heptane

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

1-Methyl-3-(3-phenylpropyl)-7-oxobicyclo[2.2.1]heptane
SpectraBase Compound ID 36Pb5JtQnVK
InChI InChI=1S/C16H22O/c1-13-12-16(11-9-15(13)17-16)10-5-8-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3
InChIKey FMZDHHLTLYFUJJ-UHFFFAOYSA-N
Mol Weight 230.35 g/mol
Molecular Formula C16H22O
Exact Mass 230.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3L9p959Xyar
Name 1-Methyl-3-(3-phenylpropyl)-7-oxobicyclo[2.2.1]heptane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.167065327 u
Formula C16H22O
InChI InChI=1S/C16H22O/c1-13-12-16(11-9-15(13)17-16)10-5-8-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3
InChIKey FMZDHHLTLYFUJJ-UHFFFAOYSA-N
Molecular Weight 230.351 g/mol
SMILES C12(OC(C(C2)C)CC1)CCCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890845