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7,8,9,10.17,18,19,20,27,28,29,30-dodecadehydro-1,6:11,16,:21,26-trimethano[30]annulene
SpectraBase Compound ID 4u65scO7NPm
InChI InChI=1S/C33H18/c1-2-14-29-20-9-10-22-31-16-5-6-18-33(27-31)24-12-11-23-32-17-4-3-15-30(26-32)21-8-7-19-28(13-1)25-29/h1-6,13-18H,25-27H2
InChIKey JWBFYFZDSRJSCB-UHFFFAOYSA-N
Mol Weight 414.5 g/mol
Molecular Formula C33H18
Exact Mass 414.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Zn8ps8VmvG
Name 7,8,9,10.17,18,19,20,27,28,29,30-dodecadehydro-1,6:11,16,:21,26-trimethano[30]annulene
Comments Less than 3 mono-isotopic peaks
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Formula C33H18
InChI InChI=1S/C33H18/c1-2-14-29-20-9-10-22-31-16-5-6-18-33(27-31)24-12-11-23-32-17-4-3-15-30(26-32)21-8-7-19-28(13-1)25-29/h1-6,13-18H,25-27H2
InChIKey JWBFYFZDSRJSCB-UHFFFAOYSA-N
Molecular Weight 414.507 g/mol
SMILES C#1C#CC2=CC=CC=C(C#CC#CC3=CC=CC=C(C#CC#CC=4CC(C1)=CC=CC4)C3)C2
SPLASH splash10-014i-0900100000-430260695f8c4a17eb59
Source of Spectrum KC-0-2801-29
Synonyms tetracyclo[24.4.1.1(6,11).1(16,21)]tritriaconta-1(30),6,8,10,16,18,20,26,28-nonaene-2,4,12,14,22,24-hexayne
Wiley ID 784560