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(S)-endo-4-(Phenylethynyl)bicyclo[3.2.1]oct-2-en-8-one

View entire compound with spectra: 1 MS (GC)

(S)-endo-4-(Phenylethynyl)bicyclo[3.2.1]oct-2-en-8-one
SpectraBase Compound ID DviJNXukYAt
InChI InChI=1S/C16H14O/c17-16-14-9-8-13(15(16)11-10-14)7-6-12-4-2-1-3-5-12/h1-5,8-9,13-15H,10-11H2/t13-,14-,15-/m0/s1
InChIKey HSBAAYCXSKSMKM-KKUMJFAQSA-N
Mol Weight 222.29 g/mol
Molecular Formula C16H14O
Exact Mass 222.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APVtqgTSwYL
Name (S)-endo-4-(Phenylethynyl)bicyclo[3.2.1]oct-2-en-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O
InChI InChI=1S/C16H14O/c17-16-14-9-8-13(15(16)11-10-14)7-6-12-4-2-1-3-5-12/h1-5,8-9,13-15H,10-11H2/t13-,14-,15-/m0/s1
InChIKey HSBAAYCXSKSMKM-KKUMJFAQSA-N
Molecular Weight 222.287 g/mol
SMILES C(#Cc1ccccc1)[C@@]1([C@]2(C(=O)[C@@](C=C1)(CC2)[H])[H])[H]
SPLASH splash10-00b9-0940000000-5d650d01fb20fc1f43f9
Source of Spectrum SO-0-491-4
Synonyms (4S)-4-(phenylethynyl)bicyclo[3.2.1]oct-2-en-8-one endo-4-(Phenylethynyl)bicyclo[3.2.1]oct-2-en-8-one
Wiley ID 873600