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Nonylphenol isomer
SpectraBase Compound ID trZdqrdhoM
InChI InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h9-10,12-13,16H,2-8,11H2,1H3
InChIKey SNQQPOLDUKLAAF-UHFFFAOYSA-N
Mol Weight 220.36 g/mol
Molecular Formula C15H24O
Exact Mass 220.182715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9J1FygdpSQz
Name Nonylphenol isomer
Comments Computed using HOSE algorithm
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Exact Mass 220.182715392 u
Formula C15H24O
InChI InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h9-10,12-13,16H,2-8,11H2,1H3
InChIKey SNQQPOLDUKLAAF-UHFFFAOYSA-N
Molecular Weight 220.356 g/mol
SMILES C=1(C(CCCCCCCCC)=CC=CC1)O