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1-Benzyltriptycene
SpectraBase Compound ID HN8Y496ZMRO
InChI InChI=1S/C27H20/c1-2-10-19(11-3-1)18-27-23-15-7-4-12-20(23)26(21-13-5-8-16-24(21)27)22-14-6-9-17-25(22)27/h1-17,26H,18H2
InChIKey OKMQDQIABUHQKR-UHFFFAOYSA-N
Mol Weight 344.46 g/mol
Molecular Formula C27H20
Exact Mass 344.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 787eq2Ladz7
Name 1-Benzyltriptycene
Comments Less than 3 mono-isotopic peaks
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Formula C27H20
InChI InChI=1S/C27H20/c1-2-10-19(11-3-1)18-27-23-15-7-4-12-20(23)26(21-13-5-8-16-24(21)27)22-14-6-9-17-25(22)27/h1-17,26H,18H2
InChIKey OKMQDQIABUHQKR-UHFFFAOYSA-N
Molecular Weight 344.457 g/mol
SMILES C12(c3c(cccc3)C(c3c1cccc3)c1c2cccc1)Cc1ccccc1
SPLASH splash10-0udi-0092000000-c79c1fda1ac019cae2be
Source of Spectrum KC-0-567-1
Synonyms 1-benzylpentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaene
Wiley ID 785140