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[2.2]paracyclophane-4-methylacetate
SpectraBase Compound ID COJPT7I9nrj
InChI InChI=1S/C19H20O2/c1-21-19(20)13-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10,13H2,1H3
InChIKey DQHREMYJCJMTGK-UHFFFAOYSA-N
Mol Weight 280.37 g/mol
Molecular Formula C19H20O2
Exact Mass 280.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90gZWBfGhZ3
Name [2.2]paracyclophane-4-methylacetate
CAS Registry Number 108869-41-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O2
InChI InChI=1S/C19H20O2/c1-21-19(20)13-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10,13H2,1H3
InChIKey DQHREMYJCJMTGK-UHFFFAOYSA-N
Molecular Weight 280.367 g/mol
SMILES c1(c2CCc3ccc(CCc(c1)cc2)cc3)CC(=O)OC
SPLASH splash10-003u-0950000000-826ce4290859e92c493d
Source of Spectrum K-120-1828-9
Synonyms Methyl tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-ylacetate
Wiley ID 1284404