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4-[(S)-(-)-2-Ethoxypropoxy]phenyl 4-(decyloxy)benzoate
SpectraBase Compound ID IqikenTQffC
InChI InChI=1S/C28H40O5/c1-4-6-7-8-9-10-11-12-21-31-25-15-13-24(14-16-25)28(29)33-27-19-17-26(18-20-27)32-22-23(3)30-5-2/h13-20,23H,4-12,21-22H2,1-3H3/t23-/m0/s1
InChIKey VTNOTMBKDGRSMB-QHCPKHFHSA-N
Mol Weight 456.6 g/mol
Molecular Formula C28H40O5
Exact Mass 456.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bQTip82Kg9
Name Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester, (S)-
Alternate Name(s) 4-{[(2S)-2-ethoxypropyl]oxy}phenyl 4-(decyloxy)benzoate [4-[(2S)-2-ethoxypropoxy]phenyl] 4-decoxybenzoate
CAS Registry Number 103239-85-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40O5
InChI InChI=1S/C28H40O5/c1-4-6-7-8-9-10-11-12-21-31-25-15-13-24(14-16-25)28(29)33-27-19-17-26(18-20-27)32-22-23(3)30-5-2/h13-20,23H,4-12,21-22H2,1-3H3/t23-/m0/s1
InChIKey VTNOTMBKDGRSMB-QHCPKHFHSA-N
Molecular Weight 456.623 g/mol
SMILES C(Oc1ccc(OC[C@@](OCC)(C)[H])cc1)(c1ccc(cc1)OCCCCCCCCCC)=O
SPLASH splash10-03di-0490000000-19c5a65cebe487fbf9f2
Source of Spectrum C-108-5220-0
Wiley ID 1389406