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p-Tolylacetylene
SpectraBase Compound ID 5orjWM48tj3
InChI InChI=1S/C9H8/c1-3-9-6-4-8(2)5-7-9/h1,4-7H,2H3
InChIKey KSZVOXHGCKKOLL-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 5MGQ6VClfnw
Name 4-Ethynyltoluene
CAS Registry Number 766-97-2
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (four reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 116.062600258 u
Formula C9H8
InChI InChI=1S/C9H8/c1-3-9-6-4-8(2)5-7-9/h1,4-7H,2H3
InChIKey KSZVOXHGCKKOLL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 116.163 g/mol
Nominal Mass 116 u
Quality 964
Retention Index 829
SMILES C1(=CC=C(C=C1)C)C#C
SPLASH splash10-014i-2900000000-507402dc13672406baa5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzene,1-ethynyl-4-methyl 1-Ethynyl-4-methylbenzene
Technique GC/MS
Wiley ID DD2024_021695