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2,2-Dimethyl-3-[(3E,7E,11E,15Z)-3,7,12-trimethyloctadeca-3,7,11,15-tetraen-17-ynyl]oxirane
SpectraBase Compound ID 5hHnvE2Dq0E
InChI InChI=1S/C25H38O/c1-7-8-9-10-14-21(2)15-11-12-16-22(3)17-13-18-23(4)19-20-24-25(5,6)26-24/h1,8-9,15-16,18,24H,10-14,17,19-20H2,2-6H3/b9-8-,21-15+,22-16+,23-18+
InChIKey YOCYMTAHLHQCBR-MBBSHWBZSA-N
Mol Weight 354.6 g/mol
Molecular Formula C25H38O
Exact Mass 354.292266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5IM1JwhUqZJ
Name 2,2-Dimethyl-3-[(3E,7E,11E,15Z)-3,7,12-trimethyloctadeca-3,7,11,15-tetraen-17-ynyl]oxirane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.292265843 u
Formula C25H38O
InChI InChI=1S/C25H38O/c1-7-8-9-10-14-21(2)15-11-12-16-22(3)17-13-18-23(4)19-20-24-25(5,6)26-24/h1,8-9,15-16,18,24H,10-14,17,19-20H2,2-6H3/b9-8-,21-15+,22-16+,23-18+
InChIKey YOCYMTAHLHQCBR-MBBSHWBZSA-N
Molecular Weight 354.578 g/mol
SMILES C1(OC1CC\C(=C\CC\C(=C\CC\C=C\(CC\C=C/C#C)C)C)C)(C)C