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trans-2-(Phenylethynyl)cyclopropanecarboxylic acid
SpectraBase Compound ID IHHNKKROoEa
InChI InChI=1S/C12H10O2/c13-12(14)11-8-10(11)7-6-9-4-2-1-3-5-9/h1-5,10-11H,8H2,(H,13,14)/t10-,11-/m1/s1
InChIKey ZLLCJSSTWUYSCG-GHMZBOCLSA-N
Mol Weight 186.21 g/mol
Molecular Formula C12H10O2
Exact Mass 186.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eUd7btfBw
Name trans-2-(Phenylethynyl)cyclopropanecarboxylic acid
Alternate Name(s) (1R,2R)-2-(phenylethynyl)cyclopropanecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10O2
InChI InChI=1S/C12H10O2/c13-12(14)11-8-10(11)7-6-9-4-2-1-3-5-9/h1-5,10-11H,8H2,(H,13,14)/t10-,11-/m1/s1
InChIKey ZLLCJSSTWUYSCG-GHMZBOCLSA-N
Molecular Weight 186.210 g/mol
SMILES OC([C@]1([C@@](C1)(C#Cc1ccccc1)[H])[H])=O
SPLASH splash10-00ku-0900000000-64ef36d6bc942df29960
Source of Spectrum K-128-989-3
Wiley ID 1183261