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1-Phenyl-7-oxabicyclo[4.1.0]heptane
SpectraBase Compound ID Fr0stdtq5ME
InChI InChI=1S/C12H14O/c1-2-6-10(7-3-1)12-9-5-4-8-11(12)13-12/h1-3,6-7,11H,4-5,8-9H2
InChIKey DUDYJVLITCQGCP-UHFFFAOYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HQdZ9COLQL
Name 1-phenyl-7-oxabicyclo[4.1.0]heptane
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 174.104465070 u
Formula C12H14O
GC Oven Program Oven temp 280oC
InChI InChI=1S/C12H14O/c1-2-6-10(7-3-1)12-9-5-4-8-11(12)13-12/h1-3,6-7,11H,4-5,8-9H2
InChIKey DUDYJVLITCQGCP-UHFFFAOYSA-N
Inlet Type Split (50:1)
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.202306584
Molecular Weight 174.243 g/mol
Quality 412
SMILES C1(=CC=CC=C1)C12C(CCCC2)O1
SPLASH splash10-00ou-6900000000-740ce45ef93ce4d51553
Sample Comments 93% ee
Source of Spectrum ACI-62-SM25-14 (DOI: 10.1002/anie.202306584)
Thin-Layer Chromatography 0.39 (pentane/Et2O, 30:1)
Wiley ID 1911201