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5,6,7,8-tetraphenyltricyclo[10.1.0.0(4,9)]trideca-4,6,8-triene
SpectraBase Compound ID EvY48Qx4f8n
InChI InChI=1S/C37H32/c1-5-13-26(14-6-1)34-32-23-21-30-25-31(30)22-24-33(32)35(27-15-7-2-8-16-27)37(29-19-11-4-12-20-29)36(34)28-17-9-3-10-18-28/h1-20,30-31H,21-25H2
InChIKey LVOIYMVNBMQBGQ-UHFFFAOYSA-N
Mol Weight 476.7 g/mol
Molecular Formula C37H32
Exact Mass 476.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 918WDGYjayH
Name 5,6,7,8-tetraphenyltricyclo[10.1.0.0(4,9)]trideca-4,6,8-triene
Alternate Name(s) 4,5,6,7-tetraphenyl-1a,2,3,8,9,9a-hexahydro-1H-benzo[a]cyclopropa[e]cyclooctene
CAS Registry Number 115228-38-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H32
InChI InChI=1S/C37H32/c1-5-13-26(14-6-1)34-32-23-21-30-25-31(30)22-24-33(32)35(27-15-7-2-8-16-27)37(29-19-11-4-12-20-29)36(34)28-17-9-3-10-18-28/h1-20,30-31H,21-25H2
InChIKey LVOIYMVNBMQBGQ-UHFFFAOYSA-N
Molecular Weight 476.663 g/mol
SMILES c12c(c(-c3ccccc3)c(c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)CCC1C(CC2)C1
SPLASH splash10-00fr-0000900000-e96635a4cd43849415e1
Source of Spectrum K-121-2017-13
Wiley ID 1394479