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trans-(Phenyl)[2-(phenylethynyl)cyclopropyl]methanone
SpectraBase Compound ID CA0NqraM2JZ
InChI InChI=1S/C18H14O/c19-18(15-9-5-2-6-10-15)17-13-16(17)12-11-14-7-3-1-4-8-14/h1-10,16-17H,13H2/t16-,17-/m1/s1
InChIKey PDGPPLVPAGJCKP-IAGOWNOFSA-N
Mol Weight 246.31 g/mol
Molecular Formula C18H14O
Exact Mass 246.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A99Dh89aziP
Name trans-(Phenyl)[2-(phenylethynyl)cyclopropyl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14O
InChI InChI=1S/C18H14O/c19-18(15-9-5-2-6-10-15)17-13-16(17)12-11-14-7-3-1-4-8-14/h1-10,16-17H,13H2/t16-,17-/m1/s1
InChIKey PDGPPLVPAGJCKP-IAGOWNOFSA-N
Literature Reference DOI 10.1002/hlca.200390086
Molecular Weight 246.309 g/mol
SMILES C(c1ccccc1)(=O)[C@]1([C@@](C1)(C#Cc1ccccc1)[H])[H]
SPLASH splash10-0a6s-4900000000-b57cb4159245a014b387
Source of Spectrum H-86-890-trans_11g
Synonyms phenyl((1R,2R)-2-(phenylethynyl)cyclopropyl)methanone
Wiley ID 1785361