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pentacyclo[17.8.2.1(2,25).0(7,12).0(17,22)]triaconta-1(27),2(30),7,9,11,17,19,21,25-nonaen-3,5,13,15-tetrayne
SpectraBase Compound ID 1ClS1Rse9Dz
InChI InChI=1S/C30H18/c1-2-8-26-10-4-6-12-30-22-24-14-18-28(30)20-16-23-13-17-27(19-15-24)29(21-23)11-5-3-9-25(26)7-1/h1-2,7-8,13-14,17-18,21-22H,15-16,19-20H2
InChIKey YXKXZAKPDRRYJG-UHFFFAOYSA-N
Mol Weight 378.47 g/mol
Molecular Formula C30H18
Exact Mass 378.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TLbeJs3mRo
Name pentacyclo[17.8.2.1(2,25).0(7,12).0(17,22)]triaconta-1(27),2(30),7,9,11,17,19,21,25-nonaen-3,5,13,15-tetrayne
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H18
InChI InChI=1S/C30H18/c1-2-8-26-10-4-6-12-30-22-24-14-18-28(30)20-16-23-13-17-27(19-15-24)29(21-23)11-5-3-9-25(26)7-1/h1-2,7-8,13-14,17-18,21-22H,15-16,19-20H2
InChIKey YXKXZAKPDRRYJG-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.209
Molecular Weight 378.474 g/mol
SMILES c12c3ccc(CCc4c(cc(cc4)CC3)C#CC#Cc3c(cccc3)C#CC#C2)c1
SPLASH splash10-00fr-0109000000-ff25603186debf424e5a
Source of Spectrum BJO-10-SM15-22
Wiley ID 1853979