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3-Phenyl-3-methyl-1-pentyne
SpectraBase Compound ID LIwDYCDES2E
InChI InChI=1S/C12H14/c1-4-12(3,5-2)11-9-7-6-8-10-11/h1,6-10H,5H2,2-3H3
InChIKey GGKDJJXYXFHRAU-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C12H14
Exact Mass 158.10955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7mYzIBqHSs
Name 3-Phenyl-3-methyl-1-pentyne
CAS Registry Number 109182-86-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14
InChI InChI=1S/C12H14/c1-4-12(3,5-2)11-9-7-6-8-10-11/h1,6-10H,5H2,2-3H3
InChIKey GGKDJJXYXFHRAU-UHFFFAOYSA-N
Molecular Weight 158.244 g/mol
SMILES C(#C)C(c1ccccc1)(CC)C
SPLASH splash10-004i-0900000000-a6c752f110c07da99248
Source of Spectrum J-52-3923-1
Synonyms (1-ethyl-1-methyl-2-propynyl)benzene
Wiley ID 1155965