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[PARA-(PARA-CYANOPHENYL)-PHENYL]-2-ALPHA-OCTYL-PERHYDRO-6-AZULENE-CARBOXYLATE
SpectraBase Compound ID GnidC2yucLR
InChI InChI=1S/C32H41NO2/c1-2-3-4-5-6-7-8-25-21-29-15-13-28(14-16-30(29)22-25)32(34)35-31-19-17-27(18-20-31)26-11-9-24(23-33)10-12-26/h9-12,17-20,25,28-30H,2-8,13-16,21-22H2,1H3/t25-,28+,29?,30?
InChIKey DWRYKHKZNNRAAL-ZFXFFMFASA-N
Mol Weight 471.7 g/mol
Molecular Formula C32H41NO2
Exact Mass 471.31373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwLjdXX9sXM
Name cis-4'-cyanobiphenyl-4-yl 2-octyldecahydroazulene-6-carboxylate
Appearance Colorless solid
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Formula C32H41NO2
InChI InChI=1S/C32H41NO2/c1-2-3-4-5-6-7-8-25-21-29-15-13-28(14-16-30(29)22-25)32(34)35-31-19-17-27(18-20-31)26-11-9-24(23-33)10-12-26/h9-12,17-20,25,28-30H,2-8,13-16,21-22H2,1H3/t25-,28+,29?,30?
InChIKey DWRYKHKZNNRAAL-ZFXFFMFASA-N
Instrument Name Finnigan MAT 8430
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.44
Molecular Weight 471.685 g/mol
Reported Formula C32H41NO2,
SMILES C1[C@](CC2CC[C@](CCC12)(C(=O)Oc1ccc(cc1)-c1ccc(cc1)C#N)[H])(CCCCCCCC)[H]
SPLASH splash10-0002-8890000000-34f300cfa7f9f1e5aa29
Source of Spectrum BJO-8-409-10a
Wiley ID 1867360