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3-Phenyl-3,4-dimethyl-1-pentyne

View entire compound with spectra: 1 MS (GC)

3-Phenyl-3,4-dimethyl-1-pentyne
SpectraBase Compound ID C1Inb0QnZZN
InChI InChI=1S/C13H16/c1-5-13(4,11(2)3)12-9-7-6-8-10-12/h1,6-11H,2-4H3
InChIKey PFYKLLYMIFGZAO-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C13H16
Exact Mass 172.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LTR8deDA1D
Name 3-Phenyl-3,4-dimethyl-1-pentyne
CAS Registry Number 109182-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16
InChI InChI=1S/C13H16/c1-5-13(4,11(2)3)12-9-7-6-8-10-12/h1,6-11H,2-4H3
InChIKey PFYKLLYMIFGZAO-UHFFFAOYSA-N
Molecular Weight 172.271 g/mol
SMILES C(C#C)(c1ccccc1)(C(C)C)C
SPLASH splash10-004i-0900000000-ae97ca11548246298e11
Source of Spectrum J-52-3923-1
Synonyms (1-isopropyl-1-methyl-2-propynyl)benzene
Wiley ID 1169520