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(1S,14S) Heptacyclo[12.10.0.0(2,13).0(4,12).0(5,10).0(15.23).0(17,22)]tetraeicosa-3,5,6,8,11,15,17,18,20,23-decaene Benzopentalene dimer

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(1S,14S) Heptacyclo[12.10.0.0(2,13).0(4,12).0(5,10).0(15.23).0(17,22)]tetraeicosa-3,5,6,8,11,15,17,18,20,23-decaene Benzopentalene dimer
SpectraBase Compound ID 20lh089gL1q
InChI InChI=1S/C24H16/c1-3-7-15-13(5-1)9-19-17(15)11-21-22-12-18-16-8-4-2-6-14(16)10-20(18)24(22)23(19)21/h1-5,8-13,16,21-24H/t13?,16?,21?,22-,23?,24-/m0/s1
InChIKey YPIABAAFYDWVBV-NISBZVQMSA-N
Mol Weight 304.39 g/mol
Molecular Formula C24H16
Exact Mass 304.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dp9b4PjnxMZ
Name (1S,14S) Heptacyclo[12.10.0.0(2,13).0(4,12).0(5,10).0(15.23).0(17,22)]tetraeicosa-3,5,6,8,11,15,17,18,20,23-decaene Benzopentalene dimer
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16
InChI InChI=1S/C24H16/c1-3-7-15-13(5-1)9-19-17(15)11-21-22-12-18-16-8-4-2-6-14(16)10-20(18)24(22)23(19)21/h1-5,8-13,16,21-24H/t13?,16?,21?,22-,23?,24-/m0/s1
InChIKey YPIABAAFYDWVBV-NISBZVQMSA-N
Molecular Weight 304.392 g/mol
SMILES C1=2C(C3=C=CC=CC3C2)=CC2[C@@]3(C=C4C([C@@]3(C12)[H])=CC1=C=CC=CC41)[H]
SPLASH splash10-0udi-0900000000-2424c0dcba311563ba76
Source of Spectrum AT-35-4408-10
Synonyms (2S,13R)-heptacyclo[12.10.0.0(2,13).0(3,11).0(5,10).0(16,24).0(17,22)]tetracosa-3,5,6,8,11,15,17,18,20,23-decaene Benzopentalene dimer Heptacyclo[12.10.0.0(2,13).0(4,12).0(5,10).0(15.23).0(17,22)]tetraeicosa-3,5,6,8,11,15,17,18,20,23-decaene
Wiley ID 852766