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o-Nitrophenyl 5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)octyl ether
SpectraBase Compound ID 3Bsmh2yVJmX
InChI InChI=1S/C24H41NO3/c1-18(15-23(3,4)5)13-14-20(19(2)16-24(6,7)8)17-28-22-12-10-9-11-21(22)25(26)27/h9-12,18-20H,13-17H2,1-8H3
InChIKey VOWXGOGQMZSMGZ-UHFFFAOYSA-N
Mol Weight 391.6 g/mol
Molecular Formula C24H41NO3
Exact Mass 391.308644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 79C22keTDGV
Name o-Nitrophenyl 5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)octyl ether
Comments Computed using HOSE algorithm
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Exact Mass 391.308644181 u
Formula C24H41NO3
InChI InChI=1S/C24H41NO3/c1-18(15-23(3,4)5)13-14-20(19(2)16-24(6,7)8)17-28-22-12-10-9-11-21(22)25(26)27/h9-12,18-20H,13-17H2,1-8H3
InChIKey VOWXGOGQMZSMGZ-UHFFFAOYSA-N
Molecular Weight 391.596 g/mol
SMILES N(=O)(=O)C1=C(C=CC=C1)OCC(CCC(CC(C)(C)C)C)C(CC(C)(C)C)C