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1-Ethynyl-2-methyl-benzene
SpectraBase Compound ID K0oE8epP25j
InChI InChI=1S/C9H8/c1-3-9-7-5-4-6-8(9)2/h1,4-7H,2H3
InChIKey MYBSUWNEMXUTAX-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C9H8
Exact Mass 116.0626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JaPAD1HO26o
Name BENZENE, 1-ETHYNYL-2-METHYL-
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 116.062600258 u
Formula C9H8
InChI InChI=1S/C9H8/c1-3-9-7-5-4-6-8(9)2/h1,4-7H,2H3
InChIKey MYBSUWNEMXUTAX-UHFFFAOYSA-N
Molecular Weight 116.163 g/mol
Nominal Mass 116 u
Number of Peaks 67
SMILES c1(ccccc1C)C#C
SPLASH splash10-014i-9800000000-dc9e7ab2d1878f99f311
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX001512