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2-Phenylcyclohexane-1-spiro 2'-5'-oxatricyclo[6.2.1.0(2,7)]undec-9'-en-3',6'-dione
SpectraBase Compound ID IE9qKuYLc1z
InChI InChI=1S/C21H22O3/c22-19-17-14-9-10-15(12-14)18(17)20(23)24-21(19)11-5-4-8-16(21)13-6-2-1-3-7-13/h1-3,6-7,9-10,14-18H,4-5,8,11-12H2/t14-,15+,16-,17+,18+,21-/m0/s1
InChIKey MKVVPQDGBUXADM-UVIDDBMMSA-N
Mol Weight 322.4 g/mol
Molecular Formula C21H22O3
Exact Mass 322.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Chhfj7ERFhk
Name 2-Phenylcyclohexane-1-spiro 2'-5'-oxatricyclo[6.2.1.0(2,7)]undec-9'-en-3',6'-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O3
InChI InChI=1S/C21H22O3/c22-19-17-14-9-10-15(12-14)18(17)20(23)24-21(19)11-5-4-8-16(21)13-6-2-1-3-7-13/h1-3,6-7,9-10,14-18H,4-5,8,11-12H2/t14-,15+,16-,17+,18+,21-/m0/s1
InChIKey MKVVPQDGBUXADM-UVIDDBMMSA-N
Molecular Weight 322.404 g/mol
SMILES [C@@]12(C([C@@]3([C@]4(C=C[C@@]([C@]3(C(O2)=O)[H])(C4)[H])[H])[H])=O)[C@](c2ccccc2)(CCCC1)[H]
SPLASH splash10-01xc-2930000000-59166010e153b7b18ad8
Source of Spectrum Y1-44-5017-7
Wiley ID 1621547