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3-Hydroxy-dodecanoic acid, pyrrolidide
SpectraBase Compound ID 9FpBv0lmhiB
InChI InChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-11-15(18)14-16(19)17-12-9-10-13-17/h15,18H,2-14H2,1H3
InChIKey VPHNSZDABAFKLO-UHFFFAOYSA-N
Mol Weight 269.43 g/mol
Molecular Formula C16H31NO2
Exact Mass 269.235479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9WIqvZx8icM
Name 3-Hydroxy-dodecanoic acid, pyrrolidide
Comments Computed using HOSE algorithm
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Exact Mass 269.235479240 u
Formula C16H31NO2
InChI InChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-11-15(18)14-16(19)17-12-9-10-13-17/h15,18H,2-14H2,1H3
InChIKey VPHNSZDABAFKLO-UHFFFAOYSA-N
SMILES C1N(CCC1)C(CC(CCCCCCCCC)O)=O