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4-Ethynyl-1-hexyl-1H-pyrazole

View entire compound with spectra: 1 MS (GC)

4-Ethynyl-1-hexyl-1H-pyrazole
SpectraBase Compound ID GGDoaa8C3vU
InChI InChI=1S/C11H16N2/c1-3-5-6-7-8-13-10-11(4-2)9-12-13/h2,9-10H,3,5-8H2,1H3
InChIKey MXMBDTOTLBJEGI-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C11H16N2
Exact Mass 176.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E03vH1umDGG
Name 4-Ethynyl-1-hexyl-1H-pyrazole
Appearance Pale orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.131348523 u
Formula C11H16N2
InChI InChI=1S/C11H16N2/c1-3-5-6-7-8-13-10-11(4-2)9-12-13/h2,9-10H,3,5-8H2,1H3
InChIKey MXMBDTOTLBJEGI-UHFFFAOYSA-N
Instrument Name ThermoQuest MAT95XL
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.661
Molecular Weight 176.263 g/mol
Quality 106
SMILES C(#C)C=1C=NN(C1)CCCCCC
SPLASH splash10-0a6r-0900000000-f7a4115f660ebd13fab0
Source of Spectrum ARK-2022-40-10c (DOI: 10.24820/ark.5550190.p011.661)
Wiley ID 1896868