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Linalyl phenylacetate
SpectraBase Compound ID 3tNafov8cj
InChI InChI=1S/C18H24O2/c1-5-18(4,13-9-10-15(2)3)20-17(19)14-16-11-7-6-8-12-16/h5-8,10-12H,1,9,13-14H2,2-4H3
InChIKey RROUXOOIXJRTOM-UHFFFAOYSA-N
Mol Weight 272.39 g/mol
Molecular Formula C18H24O2
Exact Mass 272.17763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID He0nLrbhysJ
Name Linalyl phenylacetate
Comments Computed using HOSE algorithm
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Exact Mass 272.177630011 u
Formula C18H24O2
InChI InChI=1S/C18H24O2/c1-5-18(4,13-9-10-15(2)3)20-17(19)14-16-11-7-6-8-12-16/h5-8,10-12H,1,9,13-14H2,2-4H3
InChIKey RROUXOOIXJRTOM-UHFFFAOYSA-N
SMILES C(=CCCC(C=C)(OC(=O)CC1=CC=CC=C1)C)(C)C