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(Bicyclo[2.2.1]hept-5-en-2-yl)(phenyl)methanone
SpectraBase Compound ID HKXbJqmskHz
InChI InChI=1S/C14H14O/c15-14(11-4-2-1-3-5-11)13-9-10-6-7-12(13)8-10/h1-7,10,12-13H,8-9H2/t10-,12+,13+/m1/s1
InChIKey RMHYEJKELLBHSV-WXHSDQCUSA-N
Mol Weight 198.26 g/mol
Molecular Formula C14H14O
Exact Mass 198.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UGMvPKSHEY
Name (Bicyclo[2.2.1]hept-5-en-2-yl)(phenyl)methanone
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.104465070 u
Formula C14H14O
InChI InChI=1S/C14H14O/c15-14(11-4-2-1-3-5-11)13-9-10-6-7-12(13)8-10/h1-7,10,12-13H,8-9H2/t10-,12+,13+/m1/s1
InChIKey RMHYEJKELLBHSV-WXHSDQCUSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004840
Molecular Weight 198.265 g/mol
Quality 165
SMILES C1=C[C@@]2([C@@](C(C3=CC=CC=C3)=O)(C[C@]1(C2)[H])[H])[H]
SPLASH splash10-0arr-5900000000-60df720141e79317232c
Sample Comments Major diastereomer, 11:1 endo:exo mixture
Source of Spectrum QE-27-SM36-2ac (DOI: 10.1002/chem.202004840)
Thin-Layer Chromatography 0.30 (hexane/EtOAc, 97:3)
Wiley ID 1902298