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Bicyclo[3.3.1]nonane, ethanone deriv.

View entire compound with spectra: 1 NMR, and 1 FTIR

Bicyclo[3.3.1]nonane, ethanone deriv.
SpectraBase Compound ID IFVL3q5Iw8m
InChI InChI=1S/C17H20O/c18-17-14-7-12-6-13(10-14)15(16(17)9-12)8-11-4-2-1-3-5-11/h1-5,12-16H,6-10H2/t12?,13-,14+,15-,16-/m1/s1
InChIKey RPEVFOMNNVIOCR-WFDRTZIDSA-N
Mol Weight 240.35 g/mol
Molecular Formula C17H20O
Exact Mass 240.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hg07potBZXk
Name Bicyclo[3.3.1]nonane, ethanone deriv.
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.151415263 u
Formula C17H20O
InChI InChI=1S/C17H20O/c18-17-14-7-12-6-13(10-14)15(16(17)9-12)8-11-4-2-1-3-5-11/h1-5,12-16H,6-10H2/t12?,13-,14+,15-,16-/m1/s1
InChIKey RPEVFOMNNVIOCR-WFDRTZIDSA-N
Molecular Weight 240.346 g/mol
SMILES [C@@]12(C([C@@]3([H])CC(C2)C[C@@]([C@]1(CC=1C=CC=CC1)[H])(C3)[H])=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851744