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3-(Hexyloxy)-1,2-propanediol, bis(1-naphthalenecarbamate)

View entire compound with spectra: 2 NMR, and 1 FTIR

3-(Hexyloxy)-1,2-propanediol, bis(1-naphthalenecarbamate)
SpectraBase Compound ID GXbfo1G2age
InChI InChI=1S/C31H34N2O5/c1-2-3-4-9-20-36-21-25(38-31(35)33-29-19-11-15-24-13-6-8-17-27(24)29)22-37-30(34)32-28-18-10-14-23-12-5-7-16-26(23)28/h5-8,10-19,25H,2-4,9,20-22H2,1H3,(H,32,34)(H,33,35)
InChIKey MBOUVOXKXPYOFL-UHFFFAOYSA-N
Mol Weight 514.6 g/mol
Molecular Formula C31H34N2O5
Exact Mass 514.246772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9zALAfdKHJy
Name 3-(Hexyloxy)-1,2-propanediol, bis(1-naphthalenecarbamate)
Comments Computed using HOSE algorithm
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Exact Mass 514.246772198 u
Formula C31H34N2O5
InChI InChI=1S/C31H34N2O5/c1-2-3-4-9-20-36-21-25(38-31(35)33-29-19-11-15-24-13-6-8-17-27(24)29)22-37-30(34)32-28-18-10-14-23-12-5-7-16-26(23)28/h5-8,10-19,25H,2-4,9,20-22H2,1H3,(H,32,34)(H,33,35)
InChIKey MBOUVOXKXPYOFL-UHFFFAOYSA-N
Molecular Weight 514.622 g/mol
SMILES N(C1=C2C=CC=CC2=CC=C1)C(OC(COC(NC=1C=CC=C2C=CC=CC12)=O)COCCCCCC)=O