Debug Info

object
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_id
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LKe0IvTRnaX
spectrumID
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LKe0IvTRnaX
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262144
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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METHYLSQUALENE
SpectraBase Compound ID 1quC6Z9Eoat
InChI InChI=1S/C31H52/c1-25(2)15-12-18-29(7)21-13-19-27(5)16-10-11-17-28(6)20-14-22-30(8)23-24-31(9)26(3)4/h15-17,21-22,31H,3,10-14,18-20,23-24H2,1-2,4-9H3/b27-16+,28-17+,29-21+,30-22+
InChIKey ANCCRFGXJYBRIW-SKQHXPRYSA-N
Mol Weight 424.8 g/mol
Molecular Formula C31H52
Exact Mass 424.406902 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LKe0IvTRnaX
Name METHYLSQUALENE
Compound Number 4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H52
InChI InChI=1S/C31H52/c1-25(2)15-12-18-29(7)21-13-19-27(5)16-10-11-17-28(6)20-14-22-30(8)23-24-31(9)26(3)4/h15-17,21-22,31H,3,10-14,18-20,23-24H2,1-2,4-9H3/b27-16+,28-17+,29-21+,30-22+
InChIKey ANCCRFGXJYBRIW-SKQHXPRYSA-N
Literature Reference Author E.ACHITOUV,P.METZGER,M.N.RAGER,C.LARGEAU
Literature Reference Citation PHYTOCHEM.,65,3159(2004)
Literature Reference DOI 10.1016/j.phytochem.2004.09.015
Molecular Weight 424.754 g/mol
Solvent CDCl3
Source File Reference UWSI25620
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