For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(SP)-4-Acetyl[2.2]paracyclophane
SpectraBase Compound ID 7M71Qt0941a
InChI InChI=1S/C18H18O/c1-13(19)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10H2,1H3
InChIKey BMIQCMMQLWBYIU-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C18H18O
Exact Mass 250.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DKRu9WhSvKZ
Name (SP)-4-Acetyl[2.2]paracyclophane
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O
InChI InChI=1S/C18H18O/c1-13(19)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10H2,1H3
InChIKey BMIQCMMQLWBYIU-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 or Kratos MS-50
Ionization Type EI
Literature Reference DOI 10.1002/cctc.201900416
Molecular Weight 250.341 g/mol
Reported Formula C18H18O
SMILES c1(c2ccc(c1)CCc1ccc(cc1)CC2)C(=O)C
SPLASH splash10-0udj-0940000000-1920aa0b33e5e40d53ad
Source of Spectrum CCC-11-SM16-(SP)-S12
Thin-Layer Chromatography Rf = 0.42 (cyclohexane/ethyl acetate, 90:10)
Wiley ID 1836891