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1-[3,8-Dimethyl-5-(propan-2-yl)azulen-1-yl]-3-(pyridin-3-yl)prop-2-yn-1-one
SpectraBase Compound ID Bx6LRhX2xmH
InChI InChI=1S/C23H21NO/c1-15(2)19-9-7-16(3)23-20(13-19)17(4)12-21(23)22(25)10-8-18-6-5-11-24-14-18/h5-7,9,11-15H,1-4H3
InChIKey UYWZZPAKMGWWNJ-UHFFFAOYSA-N
Mol Weight 327.43 g/mol
Molecular Formula C23H21NO
Exact Mass 327.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmdQAafFQNJ
Name 1-[3,8-Dimethyl-5-(propan-2-yl)azulen-1-yl]-3-(pyridin-3-yl)prop-2-yn-1-one
Appearance Brown solid
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Formula C23H21NO
InChI InChI=1S/C23H21NO/c1-15(2)19-9-7-16(3)23-20(13-19)17(4)12-21(23)22(25)10-8-18-6-5-11-24-14-18/h5-7,9,11-15H,1-4H3
InChIKey UYWZZPAKMGWWNJ-UHFFFAOYSA-N
Instrument Name Finnigen MAT 200
Ionization Type EI+
Literature Reference DOI 10.3762/bjoc.7.136
Molecular Weight 327.427 g/mol
SMILES Cc1cc(C(=O)C#Cc2cnccc2)c2c(C)ccc(C(C)C)cc12
SPLASH splash10-004i-0889000000-93107c331ac99c14f8b3
Source of Spectrum BJO-7-SM15-3j
Wiley ID 1867037