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FASNPPWZLHQZAJ-UHFFFAOYSA-N
SpectraBase Compound ID ECz6qCLdOxk
InChI InChI=1S/C12H14/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey FASNPPWZLHQZAJ-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 7nTZZCEchLT
Name Benzene, (3,3-dimethyl-1-butynyl)-
CAS Registry Number 4250-82-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14
InChI InChI=1S/C12H14/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey FASNPPWZLHQZAJ-UHFFFAOYSA-N
Molecular Weight 158.244 g/mol
SMILES C(#Cc1ccccc1)C(C)(C)C
SPLASH splash10-052f-0900000000-bbcabc9e7312086319ae
Source of Spectrum AC-1976-539-0
Synonyms (3,3-dimethyl-1-butynyl)benzene 3,3-dimethylbut-1-ynylbenzene Phenyl-t-butylacetylene Phenyl-tert-butyl-acetylene
Wiley ID 1155900