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1-tert-Butylprop-2-ynylbenzene
SpectraBase Compound ID 3uQsPXNrbWW
InChI InChI=1S/C13H16/c1-5-12(13(2,3)4)11-9-7-6-8-10-11/h1,6-10,12H,2-4H3
InChIKey HEIYKOFENMGLRR-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 6ozapvVvzZC
Name 1-tert-Butylprop-2-ynylbenzene
CAS Registry Number 109182-85-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16
InChI InChI=1S/C13H16/c1-5-12(13(2,3)4)11-9-7-6-8-10-11/h1,6-10,12H,2-4H3
InChIKey HEIYKOFENMGLRR-UHFFFAOYSA-N
Molecular Weight 172.271 g/mol
SMILES C(C(C(C)(C)C)c1ccccc1)#C
SPLASH splash10-0aor-9700000000-38a0bcf5218f4363dd25
Source of Spectrum J-52-3923-1
Synonyms 4,4-Dimethylpent-1-yn-3-ylbenzene
Wiley ID 1169519