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Benzoic acid, 4-(nonyloxy)-, 4-(2-propoxypropoxy)phenyl ester, (S)-
SpectraBase Compound ID 8gEzOPeqxwz
InChI InChI=1S/C28H40O5/c1-4-6-7-8-9-10-11-21-31-25-14-12-24(13-15-25)28(29)33-27-18-16-26(17-19-27)32-22-23(3)30-20-5-2/h12-19,23H,4-11,20-22H2,1-3H3/t23-/m0/s1
InChIKey NOMJQELQXUNDCD-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 GdifOurrX7y
Name Benzoic acid, 4-(nonyloxy)-, 4-(2-propoxypropoxy)phenyl ester, (S)-
CAS Registry Number 103239-88-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40O5
InChI InChI=1S/C28H40O5/c1-4-6-7-8-9-10-11-21-31-25-14-12-24(13-15-25)28(29)33-27-18-16-26(17-19-27)32-22-23(3)30-20-5-2/h12-19,23H,4-11,20-22H2,1-3H3/t23-/m0/s1
InChIKey NOMJQELQXUNDCD-QHCPKHFHSA-N
Molecular Weight 456.623 g/mol
SMILES C(Oc1ccc(OC[C@@](OCCC)(C)[H])cc1)(c1ccc(cc1)OCCCCCCCCC)=O
SPLASH splash10-0002-0490200000-20ffda4e2ced194654d5
Source of Spectrum C-108-5220-0
Synonyms 4-{[(2S)-2-propoxypropyl]oxy}phenyl 4-(nonyloxy)benzoate
Wiley ID 1389407