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6-Methyl-2-[(10E)-nonadec-10-en-1-yl]-2,3-dihydro-4H-pyran-4-one
SpectraBase Compound ID IHnPdqTT3ux
InChI InChI=1S/C25H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22-24(26)21-23(2)27-25/h10-11,21,25H,3-9,12-20,22H2,1-2H3/b11-10+
InChIKey BWJGPBYNCWFMBW-ZHACJKMWSA-N
Mol Weight 376.6 g/mol
Molecular Formula C25H44O2
Exact Mass 376.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GrUXLEqTA9Q
Name 6-Methyl-2-[(10E)-nonadec-10-en-1-yl]-2,3-dihydro-4H-pyran-4-one
Comments Computed using HOSE algorithm
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Exact Mass 376.334130655 u
Formula C25H44O2
InChI InChI=1S/C25H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22-24(26)21-23(2)27-25/h10-11,21,25H,3-9,12-20,22H2,1-2H3/b11-10+
InChIKey BWJGPBYNCWFMBW-ZHACJKMWSA-N
Molecular Weight 376.625 g/mol
SMILES C1=C(OC(CC1=O)CCCCCCCCC\C=C\CCCCCCCC)C