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Squalene

View entire compound with spectra: 77 NMR, 4 FTIR, 1 Raman, 33 MS (GC), and 2 Near IR

Squalene
SpectraBase Compound ID CWF2izynD3m
InChI InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
InChIKey YYGNTYWPHWGJRM-AAJYLUCBSA-N
Mol Weight 410.7 g/mol
Molecular Formula C30H50
Exact Mass 410.391252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ar00Tlup6
Name
CAS Registry Number 7683-64-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H50
InChI InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
InChIKey YYGNTYWPHWGJRM-AAJYLUCBSA-N
Instrument Name Special
Literature Reference D.E. Dorman, M. Jautelat, J.D. Roberts, J. Org. Chem. 36, 2757 (1971).
NMR Standard CS2
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Cyclohexane