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1-Tert-Butyl-4-(prop-1-ynyl)benzene
SpectraBase Compound ID 4EqGP1eEIzu
InChI InChI=1S/C13H16/c1-5-6-11-7-9-12(10-8-11)13(2,3)4/h7-10H,1-4H3
InChIKey ZGLFTAQYCWSIMV-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 GVPAPumUFRF
Name 1-Tert-Butyl-4-(prop-1-ynyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16
InChI InChI=1S/C13H16/c1-5-6-11-7-9-12(10-8-11)13(2,3)4/h7-10H,1-4H3
InChIKey ZGLFTAQYCWSIMV-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo401851m
Molecular Weight 172.271 g/mol
SMILES C(C)(C)(c1ccc(C#CC)cc1)C
SPLASH splash10-0a4i-0900000000-3fe8b4b6a94b4d8365e5
Source of Spectrum J-78-10424-3da
Synonyms 1-(tert-butyl)-4-(prop-1-yn-1-yl)benzene 1-Tert-butyl-4-prop-1-ynylbenzene
Wiley ID 1747264