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3-Cyclopropyl-1-[3,8-dimethyl-5-(propan-2-yl)azulen-1-yl]prop-2-yn-1-one
SpectraBase Compound ID 2JqItxEEUla
InChI InChI=1S/C21H22O/c1-13(2)17-9-5-14(3)21-18(12-17)15(4)11-19(21)20(22)10-8-16-6-7-16/h5,9,11-13,16H,6-7H2,1-4H3
InChIKey ZZQVAFPQTDQNSA-UHFFFAOYSA-N
Mol Weight 290.41 g/mol
Molecular Formula C21H22O
Exact Mass 290.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCBr06MA0HC
Name 3-Cyclopropyl-1-[3,8-dimethyl-5-(propan-2-yl)azulen-1-yl]prop-2-yn-1-one
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O
InChI InChI=1S/C21H22O/c1-13(2)17-9-5-14(3)21-18(12-17)15(4)11-19(21)20(22)10-8-16-6-7-16/h5,9,11-13,16H,6-7H2,1-4H3
InChIKey ZZQVAFPQTDQNSA-UHFFFAOYSA-N
Instrument Name Finnigen MAT 200
Ionization Type EI+
Literature Reference DOI 10.3762/bjoc.7.136
Molecular Weight 290.406 g/mol
SMILES Cc1cc(C(=O)C#CC2CC2)c2c(C)ccc(C(C)C)cc12
SPLASH splash10-0frm-0390000000-e2d68660bf5456bc7025
Source of Spectrum BJO-7-SM17-3l
Wiley ID 1867039