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1-(Cyclopropylethynyl)-2-(2-methylallyl)cyclobut-1-ene
SpectraBase Compound ID 89ErA9d5xrf
InChI InChI=1S/C13H16/c1-10(2)9-13-8-7-12(13)6-5-11-3-4-11/h11H,1,3-4,7-9H2,2H3
InChIKey YLNWXEZUIOLSIS-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 4e9lQSARAfM
Name 1-(Cyclopropylethynyl)-2-(2-methylallyl)cyclobut-1-ene
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 172.125200515 u
Formula C13H16
InChI InChI=1S/C13H16/c1-10(2)9-13-8-7-12(13)6-5-11-3-4-11/h11H,1,3-4,7-9H2,2H3
InChIKey YLNWXEZUIOLSIS-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201604585
Molecular Weight 172.271 g/mol
Quality 317
Reported Formula C13H16
SMILES C1(CC1)C#CC1=C(CC1)CC(=C)C
SPLASH splash10-00ou-4900000000-39d11bb5c9a69baffb0a
Source of Spectrum QE-23-SM45-22e (DOI: 10.1002/chem.201604585)
Thin-Layer Chromatography 0.5 (hexane, UV, KMnO4, PAA)
Wiley ID 1903903