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5-(4-Methylphenyl)-3,6,7,8-tetrahydro-2H-azulen-1-one
SpectraBase Compound ID 88w09I2XRIx
InChI InChI=1S/C17H18O/c1-12-5-7-13(8-6-12)14-3-2-4-16-15(11-14)9-10-17(16)18/h5-8,11H,2-4,9-10H2,1H3
InChIKey QGSPOASPXRDWTQ-UHFFFAOYSA-N
Mol Weight 238.33 g/mol
Molecular Formula C17H18O
Exact Mass 238.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9dAzXjQY5ZD
Name 5-(4-Methylphenyl)-3,6,7,8-tetrahydro-2H-azulen-1-one
Alternate Name(s) 5-(p-tolyl)-3,6,7,8-tetrahydro-2H-azulen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O
InChI InChI=1S/C17H18O/c1-12-5-7-13(8-6-12)14-3-2-4-16-15(11-14)9-10-17(16)18/h5-8,11H,2-4,9-10H2,1H3
InChIKey QGSPOASPXRDWTQ-UHFFFAOYSA-N
Molecular Weight 238.330 g/mol
SMILES C=12C=C(c3ccc(cc3)C)CCCC1C(=O)CC2
SPLASH splash10-000j-0970000000-fbd66a21cfc7cc804f52
Source of Spectrum K1-2001-2422-29
Wiley ID 813917