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[6]Helicene

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[6]Helicene
SpectraBase Compound ID JJf9K9zs34O
InChI InChI=1S/C26H16/c1-3-7-22-17(5-1)9-11-19-13-15-21-16-14-20-12-10-18-6-2-4-8-23(18)25(20)26(21)24(19)22/h1-16H
InChIKey UOYPNWSDSPYOSN-UHFFFAOYSA-N
Mol Weight 328.41 g/mol
Molecular Formula C26H16
Exact Mass 328.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B83aItEIDeY
Name [6]-helicene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H16
InChI InChI=1S/C26H16/c1-3-7-22-17(5-1)9-11-19-13-15-21-16-14-20-12-10-18-6-2-4-8-23(18)25(20)26(21)24(19)22/h1-16H
InChIKey UOYPNWSDSPYOSN-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.202003826
Molecular Weight 328.414 g/mol
Optical Rotation [a]D20 = -350.1 (c = 1, CHCl3)
Reported Formula C26H16
SMILES c12ccc3ccccc3c1c1c3c4ccccc4ccc3ccc1cc2
SPLASH splash10-0imi-0009000000-6d42eb6d430556cf8b78
Sample Comments 96% ee
Source of Spectrum ACI-59-SM61-8
Wiley ID 1858197