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Cyclopropanecarboxylic acid, 1-(phenylethynyl)-, methyl ester
SpectraBase Compound ID IIfMSNSrp8g
InChI InChI=1S/C13H12O2/c1-15-12(14)13(9-10-13)8-7-11-5-3-2-4-6-11/h2-6H,9-10H2,1H3
InChIKey SPJFCISEYBVXLK-UHFFFAOYSA-N
Mol Weight 200.24 g/mol
Molecular Formula C13H12O2
Exact Mass 200.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32rxHz1a0GZ
Name Cyclopropanecarboxylic acid, 1-(phenylethynyl)-, methyl ester
CAS Registry Number 87957-55-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O2
InChI InChI=1S/C13H12O2/c1-15-12(14)13(9-10-13)8-7-11-5-3-2-4-6-11/h2-6H,9-10H2,1H3
InChIKey SPJFCISEYBVXLK-UHFFFAOYSA-N
Molecular Weight 200.237 g/mol
SMILES C1(C#Cc2ccccc2)(C(=O)OC)CC1
SPLASH splash10-0uxu-0950000000-df2d285629dd8e20c880
Source of Spectrum K-116-3104-0
Synonyms Methyl 1-(phenylethynyl)cyclopropanecarboxylate Methylester of 1-(phenylethynyl)-1-cyclopropancarboxylic acid 1-(2-phenylethynyl)-1-cyclopropanecarboxylic acid methyl ester Methyl 1-(2-phenylethynyl)cyclopropanecarboxylate Methyl 1-(2-phenylethynyl)cyclopropane-1-carboxylate
Wiley ID 1198103