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(Sp)-4-Carboxy[2.2]paracyclophane
SpectraBase Compound ID L5WoO4OtXDw
InChI InChI=1S/C17H16O2/c18-17(19)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2,(H,18,19)
InChIKey SWTPMSKJIWTBTQ-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C17H16O2
Exact Mass 252.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3F2ppCr91c
Name (rac)/(SP)-4-carboxy[2.2]paracyclophane
Appearance Colorless solid
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Formula C17H16O2
InChI InChI=1S/C17H16O2/c18-17(19)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2,(H,18,19)
InChIKey SWTPMSKJIWTBTQ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 or Kratos MS-50
Ionization Type EI
Literature Reference DOI 10.1002/cctc.201900416
Molecular Weight 252.313 g/mol
Reported Formula C17H16O2
SMILES OC(c1c2ccc(c1)CCc1ccc(cc1)CC2)=O
SPLASH splash10-0zfr-0920000000-8eec615ed69a6841ac21
Source of Spectrum CCC-11-SM11-(rac)/(SP)-S8
Wiley ID 1836886