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1,3-Propanediol, 2-(octadecyloxy)-, monoacetate, (.+-.)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1,3-Propanediol, 2-(octadecyloxy)-, monoacetate, (.+-.)-
SpectraBase Compound ID 4oKKdJncQRH
InChI InChI=1S/C23H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-23(20-24)21-27-22(2)25/h23-24H,3-21H2,1-2H3/t23-/m1/s1
InChIKey MIVUNINUDAGNHI-HSZRJFAPSA-N
Mol Weight 386.6 g/mol
Molecular Formula C23H46O4
Exact Mass 386.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KKCC8rHNxNo
Name 1,3-Propanediol, 2-(octadecyloxy)-, monoacetate, (.+-.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.339609957 u
Formula C23H46O4
InChI InChI=1S/C23H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-23(20-24)21-27-22(2)25/h23-24H,3-21H2,1-2H3/t23-/m1/s1
InChIKey MIVUNINUDAGNHI-HSZRJFAPSA-N
Molecular Weight 386.617 g/mol
SMILES C(=O)(OC[C@](OCCCCCCCCCCCCCCCCCC)(CO)[H])C