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12,13-Dimethyl[2.2](1,3)(1,4)cyclophane
SpectraBase Compound ID 4CqVzbHaez5
InChI InChI=1S/C18H20/c1-13-14(2)18-9-7-16-5-3-4-15(12-16)6-8-17(13)10-11-18/h3-5,10-12H,6-9H2,1-2H3
InChIKey MUFFISNGHWZIOH-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 1G99Zwf7PU
Name 12,13-Dimethyl[2.2](1,3)(1,4)cyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20
InChI InChI=1S/C18H20/c1-13-14(2)18-9-7-16-5-3-4-15(12-16)6-8-17(13)10-11-18/h3-5,10-12H,6-9H2,1-2H3
InChIKey MUFFISNGHWZIOH-UHFFFAOYSA-N
Molecular Weight 236.358 g/mol
SMILES c1(c(c2CCc3cccc(c3)CCc1cc2)C)C
SPLASH splash10-0080-0590000000-3fa6f37f28492d382aee
Source of Spectrum KC-0-1376-2
Synonyms 12,13-dimethyltricyclo[9.2.2.1(4,8)]hexadeca-1(13),4(16),5,7,11,14-hexaene
Wiley ID 821224