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3-Cyclohexyl-1-(4-nitrophenyl)prop-2-yn-1-ol
SpectraBase Compound ID 6TjR6CSGorP
InChI InChI=1S/C15H17NO3/c17-15(11-6-12-4-2-1-3-5-12)13-7-9-14(10-8-13)16(18)19/h7-10,12,15,17H,1-5H2
InChIKey UBROGWPCWANWIL-UHFFFAOYSA-N
Mol Weight 259.3 g/mol
Molecular Formula C15H17NO3
Exact Mass 259.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IkS1kLZgvG
Name 3-Cyclohexyl-1-(4-nitrophenyl)prop-2-yn-1-ol
Appearance Colorless liquid
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Exact Mass 259.120843408 u
Formula C15H17NO3
InChI InChI=1S/C15H17NO3/c17-15(11-6-12-4-2-1-3-5-12)13-7-9-14(10-8-13)16(18)19/h7-10,12,15,17H,1-5H2
InChIKey UBROGWPCWANWIL-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890 or 5890 Series II
Ionization Type EI
Literature Reference DOI 10.1002/anie.201704400
Molecular Weight 259.305 g/mol
Quality 112
Reported Formula C15H16NO3
SMILES OC(C#CC1CCCCC1)C1=CC=C(C=C1)[N+](=O)[O-]
SPLASH splash10-06tr-3900000000-e8cb0db98137fbfe1e99
Source of Spectrum ACI-56-SM16-12b (DOI: 10.1002/anie.201704400)
Wiley ID 1896176