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4,13-(9',10'-Phenanthreno)[2.2]paracyclophane

View entire compound with spectra: 2 NMR, and 1 MS (GC)

4,13-(9',10'-Phenanthreno)[2.2]paracyclophane
SpectraBase Compound ID EBpP5On4Vpm
InChI InChI=1S/C30H22/c1-3-7-25-23(5-1)24-6-2-4-8-26(24)30-28-18-20-10-9-19-11-13-21(27(17-19)29(25)30)15-16-22(28)14-12-20/h1-8,11-14,17-18H,9-10,15-16H2
InChIKey SOQUVKGRQCLTNF-UHFFFAOYSA-N
Mol Weight 382.51 g/mol
Molecular Formula C30H22
Exact Mass 382.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jtr7dW7dhp4
Name 4,13-(9',10'-phenanthreno)[2.2]paracyclophane
CAS Registry Number 124511-95-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22
InChI InChI=1S/C30H22/c1-3-7-25-23(5-1)24-6-2-4-8-26(24)30-28-18-20-10-9-19-11-13-21(27(17-19)29(25)30)15-16-22(28)14-12-20/h1-8,11-14,17-18H,9-10,15-16H2
InChIKey SOQUVKGRQCLTNF-UHFFFAOYSA-N
Molecular Weight 382.506 g/mol
SMILES c-12c(-c3c4ccc(c3)CCc3cc1c(CC4)cc3)c1ccccc1c1c2cccc1
SPLASH splash10-001i-0109000000-0b0877a56dc7df29b0c4
Source of Spectrum J-55-1363-7
Synonyms Heptacyclo[18.8.2.0(3,26).0(4,17).0(5,10).0(11,16).0(18,23)]triaconta-1(28),2,4(17),5,7,9,11,13,15,18,20,22,26-tridecaene
Wiley ID 1360934