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Oxepane, 2,7-diphenyl-, trans-(.+-.)-
SpectraBase Compound ID JdWcBtQsKdT
InChI InChI=1S/C18H20O/c1-3-9-15(10-4-1)17-13-7-8-14-18(19-17)16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2/t17-,18-/m0/s1
InChIKey HVJRQGNMFAJHPN-ROUUACIJSA-N
Mol Weight 252.36 g/mol
Molecular Formula C18H20O
Exact Mass 252.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSyCqpXjMRh
Name Oxepane, 2,7-diphenyl-, trans-(.+-.)-
Alternate Name(s) (2S,7S)-2,7-diphenyloxepane 2,7-Diphenyl-1-oxacycloheptane
CAS Registry Number 55696-69-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O
InChI InChI=1S/C18H20O/c1-3-9-15(10-4-1)17-13-7-8-14-18(19-17)16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2/t17-,18-/m0/s1
InChIKey HVJRQGNMFAJHPN-ROUUACIJSA-N
Molecular Weight 252.357 g/mol
SMILES [C@]1(O[C@@](CCCC1)(c1ccccc1)[H])(c1ccccc1)[H]
SPLASH splash10-0fr5-2900000000-d86242a2e661a29b1bc8
Source of Spectrum AH-106-258-38
Wiley ID 1256367