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2-(4-tert-butylcyclohexen-1-yl)benzoic acid
SpectraBase Compound ID 2dkEw3hGGq7
InChI InChI=1S/C17H22O2/c1-17(2,3)13-10-8-12(9-11-13)14-6-4-5-7-15(14)16(18)19/h4-8,13H,9-11H2,1-3H3,(H,18,19)
InChIKey UOTVLLMXPVDBMD-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EgVq0uYSm
Name 2-(4-tert-butylcyclohexen-1-yl)benzoic acid
Appearance Pale grey solid
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Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-17(2,3)13-10-8-12(9-11-13)14-6-4-5-7-15(14)16(18)19/h4-8,13H,9-11H2,1-3H3,(H,18,19)
InChIKey UOTVLLMXPVDBMD-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01375
Molecular Weight 258.361 g/mol
SMILES OC(c1ccccc1C1=CCC(CC1)C(C)(C)C)=O
SPLASH splash10-0gc0-0940000000-b8512a81d269388903bf
Source of Spectrum A1-23-SM17-6b
Wiley ID 1867998