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cis-10,11,12,13-tetraphenyl-5-oxatricyclo[7.4.0.0(4,6)]trideca-1(9),10,12-triene
SpectraBase Compound ID IwD86txya0R
InChI InChI=1S/C36H30O/c1-5-13-25(14-6-1)33-29-21-23-31-32(37-31)24-22-30(29)34(26-15-7-2-8-16-26)36(28-19-11-4-12-20-28)35(33)27-17-9-3-10-18-27/h1-20,31-32H,21-24H2/t31-,32+
InChIKey GCEFNZHNYUNZIM-MEKGRNQZSA-N
Mol Weight 478.6 g/mol
Molecular Formula C36H30O
Exact Mass 478.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQoKBtw8SbJ
Name cis-10,11,12,13-tetraphenyl-5-oxatricyclo[7.4.0.0(4,6)]trideca-1(9),10,12-triene
Alternate Name(s) (1aR,9aS)-4,5,6,7-tetraphenyl-1a,2,3,8,9,9a-hexahydrobenzo[5,6]cycloocta[1,2-b]oxirene
CAS Registry Number 117409-74-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H30O
InChI InChI=1S/C36H30O/c1-5-13-25(14-6-1)33-29-21-23-31-32(37-31)24-22-30(29)34(26-15-7-2-8-16-26)36(28-19-11-4-12-20-28)35(33)27-17-9-3-10-18-27/h1-20,31-32H,21-24H2/t31-,32+
InChIKey GCEFNZHNYUNZIM-MEKGRNQZSA-N
Molecular Weight 478.635 g/mol
SMILES c12c(c(-c3ccccc3)c(c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)CC[C@]1([C@](O1)(CC2)[H])[H]
SPLASH splash10-004i-1000900000-65f5fc9f0a7574bd7074
Source of Spectrum K-122-515-28
Wiley ID 1394931