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(2Z,4E,8E)-12-hydroxy-2-isopropyl-5,9,13-trimethyl-tetradeca-2,4,8,13-tetraenenitrile

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(2Z,4E,8E)-12-hydroxy-2-isopropyl-5,9,13-trimethyl-tetradeca-2,4,8,13-tetraenenitrile
SpectraBase Compound ID Bohn8Hqp7X
InChI InChI=1S/C20H31NO/c1-15(2)19(14-21)12-10-17(5)8-7-9-18(6)11-13-20(22)16(3)4/h9-10,12,15,20,22H,3,7-8,11,13H2,1-2,4-6H3/b17-10+,18-9+,19-12+
InChIKey TUGYCLWJUMRXMX-SRSFJCHESA-N
Mol Weight 301.47 g/mol
Molecular Formula C20H31NO
Exact Mass 301.240565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91ZgPZUVel3
Name (2Z,4E,8E)-12-Hydroxy-2-isopropyl-5,9,13-trimethyl-tetradeca-2,4,8,13-tetraenenitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.240564621 u
Formula C20H31NO
InChI InChI=1S/C20H31NO/c1-15(2)19(14-21)12-10-17(5)8-7-9-18(6)11-13-20(22)16(3)4/h9-10,12,15,20,22H,3,7-8,11,13H2,1-2,4-6H3/b17-10+,18-9+,19-12+
InChIKey TUGYCLWJUMRXMX-SRSFJCHESA-N
SMILES C(\C(=C/C=C/(CC\C=C\(CCC(C(=C)C)O)C)C)C(C)C)#N