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4-Ethynyl-benzoic acid
SpectraBase Compound ID I3oiQdghrnC
InChI InChI=1S/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11)
InChIKey SJXHLZCPDZPBPW-UHFFFAOYSA-N
Mol Weight 146.14 g/mol
Molecular Formula C9H6O2
Exact Mass 146.036779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmB1YO879cw
Name 4-ethynylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6O2
InChI InChI=1S/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11)
InChIKey SJXHLZCPDZPBPW-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1002/anie.202100953
Molecular Weight 146.145 g/mol
SMILES OC(c1ccc(C#C)cc1)=O
SPLASH splash10-0002-4900000000-cf38e2b3cf21f83ca5bb
Source of Spectrum ACI-60-SM14-Figure S10
Wiley ID 1882623