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12,16-Dimethyl[2.2](1,3)(1,4)cyclophane
SpectraBase Compound ID 9AdkLJ9hJGi
InChI InChI=1S/C18H20/c1-13-10-17-7-6-15-4-3-5-16(12-15)8-9-18(13)14(2)11-17/h3-5,10-12H,6-9H2,1-2H3
InChIKey QGZFLJWPODDIFG-UHFFFAOYSA-N
Mol Weight 236.36 g/mol
Molecular Formula C18H20
Exact Mass 236.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wA4fjpwfI
Name 12,16-Dimethyl[2.2](1,3)(1,4)cyclophane
Alternate Name(s) 12,15-dimethyltricyclo[9.2.2.1(4,8)]hexadeca-1(13),4(16),5,7,11,14-hexaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20
InChI InChI=1S/C18H20/c1-13-10-17-7-6-15-4-3-5-16(12-15)8-9-18(13)14(2)11-17/h3-5,10-12H,6-9H2,1-2H3
InChIKey QGZFLJWPODDIFG-UHFFFAOYSA-N
Molecular Weight 236.358 g/mol
SMILES c12c(cc(cc2C)CCc2cc(CC1)ccc2)C
SPLASH splash10-0080-0490000000-9d80d64bb72341287e10
Source of Spectrum KC-0-707-22
Wiley ID 821149