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1,4-Dimethyl-9-(2,4,6-trimethylbenzyl)triptycene
SpectraBase Compound ID LjVf4Toauve
InChI InChI=1S/C32H30/c1-18-15-21(4)27(22(5)16-18)17-23-9-8-12-26-30(23)32-25-11-7-6-10-24(25)31(26)28-19(2)13-14-20(3)29(28)32/h6-16,31-32H,17H2,1-5H3/t31-,32-/m1/s1
InChIKey HJERQYUFUJRYFC-ROJLCIKYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C32H30
Exact Mass 414.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ex9WxvSbOKY
Name 1,4-Dimethyl-9-(2,4,6-trimethylbenzyl)triptycene
CAS Registry Number 83692-92-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H30
InChI InChI=1S/C32H30/c1-18-15-21(4)27(22(5)16-18)17-23-9-8-12-26-30(23)32-25-11-7-6-10-24(25)31(26)28-19(2)13-14-20(3)29(28)32/h6-16,31-32H,17H2,1-5H3/t31-,32-/m1/s1
InChIKey HJERQYUFUJRYFC-ROJLCIKYSA-N
Molecular Weight 414.592 g/mol
SMILES [C@@]12(c3c(cccc3Cc3c(cc(cc3C)C)C)[C@@](c3c2cccc3)(c2c1c(ccc2C)C)[H])[H]
SPLASH splash10-001i-0190300000-231cf58ee3301fd6207f
Source of Spectrum J-48-1232-0
Synonyms 10-(mesitylmethyl)-3,6-dimethylpentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaene
Wiley ID 1375858