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exo-6,7-Dihydropentapheno-2':3',6:7-norbornane
SpectraBase Compound ID ARiMCIE0vii
InChI InChI=1S/C27H22/c1-3-7-18-14-24-22(12-16(18)5-1)23-13-17-6-2-4-8-19(17)15-25(23)27-21-10-9-20(11-21)26(24)27/h1-8,12-15,20-21,26-27H,9-11H2/t20-,21+,26-,27+
InChIKey SRFDKSWEEYVXOV-FOCFSEODSA-N
Mol Weight 346.47 g/mol
Molecular Formula C27H22
Exact Mass 346.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31OMJvfRcAO
Name exo-6,7-Dihydropentapheno-2':3',6:7-norbornane
Comments Less than 3 mono-isotopic peaks
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Formula C27H22
InChI InChI=1S/C27H22/c1-3-7-18-14-24-22(12-16(18)5-1)23-13-17-6-2-4-8-19(17)15-25(23)27-21-10-9-20(11-21)26(24)27/h1-8,12-15,20-21,26-27H,9-11H2/t20-,21+,26-,27+
InChIKey SRFDKSWEEYVXOV-FOCFSEODSA-N
Molecular Weight 346.473 g/mol
SMILES c12-c3c(cc4c(c3)cccc4)[C@@]3([C@](c2cc2c(c1)cccc2)([C@@]1(C[C@]3(CC1)[H])[H])[H])[H]
SPLASH splash10-002b-0069000000-54fffb48723b08be8d98
Source of Spectrum F-50-395-8
Synonyms (2R,23S)-heptacyclo[22.2.1.0(2,23).0(3,12).0(5,10).0(13,22).0(15,20)]heptacosa-3(12),4,6,8,10,13(22),14,16,18,20-decaene
Wiley ID 1339814