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endo-7-Phenyl-endo-4-(phenylethynyl)bicyclo[3.2.1]oct-2-en-8-one
SpectraBase Compound ID 4hqYPe27vzW
InChI InChI=1S/C22H18O/c23-22-19-14-13-18(12-11-16-7-3-1-4-8-16)21(22)15-20(19)17-9-5-2-6-10-17/h1-10,13-14,18-21H,15H2/t18-,19+,20+,21+/m0/s1
InChIKey BLTSMJZATBCTGD-DOIPELPJSA-N
Mol Weight 298.38 g/mol
Molecular Formula C22H18O
Exact Mass 298.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Atyy304939t
Name endo-7-Phenyl-endo-4-(phenylethynyl)bicyclo[3.2.1]oct-2-en-8-one
Alternate Name(s) (4S,7S)-endo-7-Phenyl-endo-4-(phenylethynyl)bicyclo[3.2.1]oct-2-en-8-one 7-Phenyl-4-(phenylethynyl)bicyclo[3.2.1]oct-2-en-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O
InChI InChI=1S/C22H18O/c23-22-19-14-13-18(12-11-16-7-3-1-4-8-16)21(22)15-20(19)17-9-5-2-6-10-17/h1-10,13-14,18-21H,15H2/t18-,19+,20+,21+/m0/s1
InChIKey BLTSMJZATBCTGD-DOIPELPJSA-N
Molecular Weight 298.385 g/mol
SMILES C1([C@]2([C@@](c3ccccc3)(C[C@@]1([C@@](C#Cc1ccccc1)(C=C2)[H])[H])[H])[H])=O
SPLASH splash10-0udi-0390000000-f9aaa05eae45e82d69fd
Source of Spectrum SO-0-494-11
Wiley ID 873584