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2.alpha.-(1-Phenylpentoxy)-8-oxabicyclo[3.2.1]oct-6-en-3-one isomer
SpectraBase Compound ID 2LDU9a2fgrA
InChI InChI=1S/C18H22O3/c1-2-3-9-16(13-7-5-4-6-8-13)21-18-15(19)12-14-10-11-17(18)20-14/h4-8,10-11,14,16-18H,2-3,9,12H2,1H3/t14-,16?,17+,18+/m0/s1
InChIKey GJXDRTVGMYECRP-KEJKVHCVSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41KrggEr2Bz
Name 2.alpha.-(1-Phenylpentoxy)-8-oxabicyclo[3.2.1]oct-6-en-3-one isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-2-3-9-16(13-7-5-4-6-8-13)21-18-15(19)12-14-10-11-17(18)20-14/h4-8,10-11,14,16-18H,2-3,9,12H2,1H3/t14-,16?,17+,18+/m0/s1
InChIKey GJXDRTVGMYECRP-KEJKVHCVSA-N
Molecular Weight 286.371 g/mol
SMILES [C@@]1(C(C[C@]2(O[C@@]1(C=C2)[H])[H])=O)(OC(c1ccccc1)CCCC)[H]
SPLASH splash10-03dj-0900000000-165040a9cb9e59b3f188
Source of Spectrum QE-6-690-3
Synonyms 2-[(1-phenylpentyl)oxy]-8-oxabicyclo[3.2.1]oct-6-en-3-one
Wiley ID 844530