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2,8-Nonadien-1-ol, 5-(1-methylethenyl)-2-[2-(phenylmethoxy)ethyl]-, [R-(E)]-
SpectraBase Compound ID F9SSI8ntghX
InChI InChI=1S/C21H30O2/c1-4-5-11-21(18(2)3)13-12-19(16-22)14-15-23-17-20-9-7-6-8-10-20/h4,6-10,12,21-22H,1-2,5,11,13-17H2,3H3/b19-12+/t21-/m1/s1
InChIKey ZXVLUKDLLCUGKH-PRWBYUBPSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FidqIQTta1s
Name 2,8-Nonadien-1-ol, 5-(1-methylethenyl)-2-[2-(phenylmethoxy)ethyl]-, [R-(E)]-
Comments Computed using HOSE algorithm
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Exact Mass 314.224580204 u
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-4-5-11-21(18(2)3)13-12-19(16-22)14-15-23-17-20-9-7-6-8-10-20/h4,6-10,12,21-22H,1-2,5,11,13-17H2,3H3/b19-12+/t21-/m1/s1
InChIKey ZXVLUKDLLCUGKH-PRWBYUBPSA-N
Molecular Weight 314.469 g/mol
SMILES C(=C)([C@@](C\C=C\(CO)CCOCC1=CC=CC=C1)(CCC=C)[H])C