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1-(1',1'-Dimethylethyl)-3-phenyl-[3,14]-paracyclophane-1,2,16-triene
SpectraBase Compound ID 8ShrpRuLeVt
InChI InChI=1S/C39H48/c1-39(2,3)38-31-37(34-21-17-14-18-22-34)35-27-23-32(24-28-35)19-15-12-10-8-6-4-5-7-9-11-13-16-20-33-25-29-36(38)30-26-33/h4-5,14,17-18,21-30H,6-13,15-16,19-20H2,1-3H3/b5-4-
InChIKey ARQBHCNVYIIEND-PLNGDYQASA-N
Mol Weight 516.8 g/mol
Molecular Formula C39H48
Exact Mass 516.375602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4Y3B3h0H82
Name 1-(1',1'-Dimethylethyl)-3-phenyl-[3,14]-paracyclophane-1,2,16-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H48
InChI InChI=1S/C39H48/c1-39(2,3)38-31-37(34-21-17-14-18-22-34)35-27-23-32(24-28-35)19-15-12-10-8-6-4-5-7-9-11-13-16-20-33-25-29-36(38)30-26-33/h4-5,14,17-18,21-30H,6-13,15-16,19-20H2,1-3H3/b5-4-
InChIKey ARQBHCNVYIIEND-PLNGDYQASA-N
Molecular Weight 516.813 g/mol
SMILES C1(=C=C(c2ccc(CCCCCC\C=C/CCCCCCc3ccc1cc3)cc2)c1ccccc1)C(C)(C)C
SPLASH splash10-0a4i-9000620000-274a647023ade188dbc8
Source of Spectrum H-2005-2328-17
Wiley ID 1562833